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ChemicalBook >> CAS DataBase List >>Bicyclo[2.2.2]octane-1,4-dicarboxylic acid hemimethyl ester

Bicyclo[2.2.2]octane-1,4-dicarboxylic acid hemimethyl ester

Bicyclo[2.2.2]octane-1,4-dicarboxylic acid hemimethyl ester Structure
Bicyclo[2.2.2]octane-1,4-dicarboxylic acid hemimethyl ester structure
CAS No.
18720-35-9
Chemical Name:
Bicyclo[2.2.2]octane-1,4-dicarboxylic acid hemimethyl ester
Synonyms
4- (methoxy carbonyl) double ring [2.2.2] octane -1- carboxylic acid;o[2.2.2]octane-1-carboxyL;l)bicyclo[2.2.2]octane-1-carboxylic acid;4-(Methoxycarbonyl)bicyclo[2.2.2]octane-1-;1-Methyl bicyclo[2.2.2]octane-1,4-dicarboxylate;1-Carboxy-4-(Methoxycarbonyl)bicyclo[2.2.2]octane;1-Methyl bicyclo[2.2.2]heptane-1, 4-dicarboxylate;Bicyclo [2.2.2] octane-1,4-cyclohexanedicarboxylate;4-(METHOXYCARBONYL)BICYCLO[2.2.2]OCTANE-1-CARBOXYLICACID;4-(Methoxycarbonyl)bicyclo[2.2.2]octan-1-carboxylic Acid
CBNumber:
CB3748693
Molecular Formula:
C11H16O4
Molecular Weight:
212.24
MDL Number:
MFCD18459359
MOL File:
18720-35-9.mol
MSDS File:
SDS
TDS File:
TDS
Last updated:2026-09-12 18:52:11
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Bicyclo[2.2.2]octane-1,4-dicarboxylic acid hemimethyl ester Properties

Melting point 186.0 to 190.0 °C
Boiling point 322.5±42.0 °C(Predicted)
Density 1.307±0.06 g/cm3(Predicted)
storage temp. Sealed in dry,Room Temperature
solubility soluble in Methanol
form powder to crystaline
pka 4.77±0.10(Predicted)
color White to Almost white
InChI InChI=1S/C11H16O4/c1-15-9(14)11-5-2-10(3-6-11,4-7-11)8(12)13/h2-7H2,1H3,(H,12,13)
InChIKey KBZVAQVEHVGIEI-UHFFFAOYSA-N
SMILES C12(C(OC)=O)CCC(C(O)=O)(CC1)CC2
UNSPSC Code 12352106
NACRES NA.21

SAFETY

Risk and Safety Statements

Symbol(GHS)  Skull and Crossbones (GHS06)
GHS06
Signal word  Danger
Hazard statements  H301-H319
Precautionary statements  P301+P310+P330-P305+P351+P338
Hazard Codes  T
Risk Statements  25-36
Safety Statements  26-45
RIDADR  UN 2811 6.1 / PGIII
WGK Germany  3
HS Code  2917200090
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 3 Oral
Eye Irrit. 2
NFPA 704
0
2 0

Bicyclo[2.2.2]octane-1,4-dicarboxylic acid hemimethyl ester price More Price(77)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich ANV00226 4-(Methoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid AldrichCPR 18720-35-9 1g $506 2026-04-30 Buy
TCI Chemical M2855 4-(Methoxycarbonyl)bicyclo[2.2.2]octan-1-carboxylic Acid >98.0%(GC)(T) 18720-35-9 1g $81 2026-04-30 Buy
Biosynth FM75312 4-(Methoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid 18720-35-9 25g $324.5 2026-06-04 Buy
Biosynth FM75312 4-(Methoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid 18720-35-9 50g $519 2026-06-04 Buy
Biosynth FM75312 4-(Methoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid 18720-35-9 100g $909 2026-06-04 Buy
Product number Packaging Price Buy
ANV00226 1g $506 Buy
M2855 1g $81 Buy
FM75312 25g $324.5 Buy
FM75312 50g $519 Buy
FM75312 100g $909 Buy

Bicyclo[2.2.2]octane-1,4-dicarboxylic acid hemimethyl ester Chemical Properties, Uses, Production

Uses

4-(Methoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic Acid has been used as a reactant for the preparation of bicyclo-octyltriazole inhibitors of HSD1 for metabolic syndrome treatment.

Synthesis

dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate

1459-96-7

BICYCLO[2.2.2]OCTANE-1,4-DICARBOXYLIC ACID HEMIMETHYL ESTER

18720-35-9

General procedure for the synthesis of 4-(methoxycarbonyl)bicyclo[2.2.2]octane-1,4-dicarboxylic acid from dimethyl bicyclo[2.2.2]octane-1-carboxylate: a mixture of 4-(methoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid (20 g) and potassium hydroxide (5.5 g) in methanol/water (10:1, 106 mL) was heated to reflux overnight. After the reaction was completed, it was cooled to room temperature and concentrated. The residue was diluted with ethyl acetate and extracted with 1N aqueous sodium hydroxide (2 x 100mL). The organic phase was dried with magnesium sulfate, filtered and concentrated to give the starting material as a white solid. The combined aqueous phases were adjusted to pH 1-2 with 2N aqueous hydrochloric acid and extracted with ethyl acetate (4 x 250mL). The combined turbid organic phases were filtered through a slot filter, washed with saturated aqueous sodium chloride, dried over magnesium sulfate, filtered and concentrated to afford 4-(methoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid as a colorless solid (13.1 g, 70% yield). Mass spectral analysis showed [MH]+ = 213.

References

[1] Bioorganic and Medicinal Chemistry Letters, 2014, vol. 24, # 24, p. 5731 - 5737
[2] Patent: WO2006/128184, 2006, A2. Location in patent: Page/Page column 164-165
[3] Patent: WO2008/63671, 2008, A2. Location in patent: Page/Page column 177-178
[4] Patent: WO2014/159802, 2014, A1. Location in patent: Paragraph 00189
[5] Journal of Medicinal Chemistry, 2009, vol. 52, # 6, p. 1558 - 1568

Bicyclo[2.2.2]octane-1,4-dicarboxylic acid hemimethyl ester Preparation Products And Raw materials

Raw materials

dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate Potassium hydroxide Methanol Water

Preparation Products

bicyclo[2.2.2]octane-1-carboxylic acid Methyl 4-hydroxybicyclo[2.2.2]octane-1-carboxylate Sodium hydroxy(4-(methoxycarbonyl)bicyclo-[2.2.2]octan-1-yl)methanesulfonate methyl 4-carbamoylbicyclo[2.2.2]octane-1-carboxylate

Bicyclo[2.2.2]octane-1,4-dicarboxylic acid hemimethyl ester Suppliers

Global Suppliers ( 245)
Supplier Tel Email Country ProdList Advantage
Shanghai Yuanding Chem. Sci. & Tech. Co., Ltd. 21-57721279 18121011378 sales@shydchem.com.cn China 998 56
Shanghai AmasPharm Co., Ltd. 021-54540637 18621091017 sales@amaspharm.com China 787 62
Aikon International Limited 025-66113011 19370895928 qzhang@aikonchem.com China 15390 58
PharmaBlock Sciences (Nanjing), Inc. 4000255188 13327728092 sales@pharmablock.com China 9999 58
Tianjin Nuokang Pharmaceutical Technology Co., Ltd. 022-23989838 13810451150 44766350@qq.com China 2725 58
J & K SCIENTIFIC LTD. 18210857532 18210857532 jkinfo@jkchemical.com China 96815 76
ChangShu Haitian Fine Chemicals Co.,Ltd 13913622609 974295387@qq.com China 192 61
Ark Pharm, Inc. 847-367-3680 sales@arkpharminc.com United States 1669 56
Beijing Ouhe Technology Co., Ltd 13552068683 13522913783 2355560935@qq.com China 11777 60
Jia Xing Isenchem Co.,Ltd 0573-85285100 18627885956 isenchem@163.com China 9389 66
Supplier Advantage
Shanghai Yuanding Chem. Sci. & Tech. Co., Ltd. 56
Shanghai AmasPharm Co., Ltd. 62
Aikon International Limited 58
PharmaBlock Sciences (Nanjing), Inc. 58
Tianjin Nuokang Pharmaceutical Technology Co., Ltd. 58
J & K SCIENTIFIC LTD. 76
ChangShu Haitian Fine Chemicals Co.,Ltd 61
Ark Pharm, Inc. 56
Beijing Ouhe Technology Co., Ltd 60
Jia Xing Isenchem Co.,Ltd 66

View Latest Price from Bicyclo[2.2.2]octane-1,4-dicarboxylic acid hemimethyl ester manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
4-(Methoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid pictures 2026-08-25 4-(Methoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid
18720-35-9
 $2.00-6.00 1kg 99% 100kg ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD
BICYCLO[2.2.2]OCTANE-1,4-DICARBOXYLIC ACID HEMIMETHYL ESTER pictures 2026-06-30 BICYCLO[2.2.2]OCTANE-1,4-DICARBOXYLIC ACID HEMIMETHYL ESTER
18720-35-9
 1kg 98% 1000kg Shaanxi Dideu New Materials Co. Ltd

Bicyclo[2.2.2]octane-1,4-dicarboxylic acid hemimethyl ester Spectrum

BICYCLO[2.2.2]OCTANE-1,4-DICARBOXYLIC ACID HEMIMETHYL ESTER(18720-35-9)1HNMR

18720-35-9 (Bicyclo[2.2.2]octane-1,4-dicarboxylic acid hemimethyl ester) Related Search:

Bicyclo[2.2.2]Octane-1,4-Dicarboxylic Acid Di-2-pyridyl thionocarbonate tert-Butyl 1-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate 3-Azabicyclo[3.1.0]hexane-3-carboxylicacid,6-amino-,1,1-dimethylethylester, Dibenzyl chloroMethyl phosphate
DiMethyl bicyclo[2.2.1]heptane-1,4-carboxylate Tert-butyl 1,7-diazaspiro[4,4]nonane-1-carboxylate Tert-butyl 2,6-diazaspiro[3.4]octane-2-carboxylate benzyl 5-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate 2S-7-Aza-bicyclo[2.2.1]heptane-2,7-dicarboxylic acid 7-tert-butyl ester
7-(tert-Butoxycarbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxylic acid (3aR,6as)-tert-butyl 5-methylenehexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate trans-1,4-Cyclohexanedicarboxybic acid 1,4-Cyclohexanedicarboxylic acid dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate
Diethyl 2,5-dioxobicyclo[2.2.2]octane-1,4-dicarboxylate trans-1,4-Cyclohexanedicarboxylic acid monomethyl ester Bicyclo[2.2.2]octane-1,4-dicarboxylic acid hemimethyl ester

1of4

Bicyclo[2.2.2]octane-1,4-dicarboxylIic acid hemimethyl ester Bicyclo [2.2.2]octane-1,4-dicarboxylic acid, 1-methyl ester Bicyclo[2.2.2]octane-1,4-dicarboxylic acid, monomethyl ester 4-(Methoxycarbonyl)bicyclo[2.2.2]octane-1- 1-Carboxy-4-(Methoxycarbonyl)bicyclo[2.2.2]octane 4-(Methoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid, >=98% 4-(Methoxycarbonyl)bicyclo[2.2.2]octan-1-carboxylic Acid 4-(METHOXYCARBONYL)BICYCLO[2.2.2]OCTANE-1-CARBOXYLICACID Bicyclo[2.2.2]octane-1,4-dicarboxylic acid, monomethyl ester 97% 4- (methoxy carbonyl) double ring [2.2.2] octane -1- carboxylic acid Bicyclo[2.2.2]octane-1,4-dicarboxylIic acid hemimethyl este Bicyclo [2.2.2] octane-1,4-cyclohexanedicarboxylate o[2.2.2]octane-1-carboxyL Monomethyl Hydrogen Bicyclo[2.2.2]octane-1,4-dicarboxylate l)bicyclo[2.2.2]octane-1-carboxylic acid 1-Methyl bicyclo[2.2.2]octane-1,4-dicarboxylate 1-Methyl bicyclo[2.2.2]heptane-1, 4-dicarboxylate Bicyclo[2.2.2]octane-1,4-dicarboxylic acid hemimethyl ester 18720-35-9 Carboxylic Acids Carboxylic Acids Fused Ring Systems