ChemicalBook--->CAS DataBase List--->91188-13-5

91188-13-5

91188-13-5 Structure

91188-13-5 Structure
IdentificationMore
[Name]

3-N-Boc-amino-azetidine
[CAS]

91188-13-5
[Synonyms]

3-AMINOAZETIDINE, 3-BOC PROTECTED
3-BOC-AMINOAZETIDINE
3-N-BOC-AMINO-AZETIDINE
AZETIDIN-3-YL-CARBAMIC ACID TERT-BUTYL ESTER
TERT-BUTYL AZETIDIN-3-YLCARBAMATE
Carbamic acid, 3-azetidinyl-, 1,1-dimethylethyl ester (9CI)
3-Aminoazetidine, 3-BOC protected 97%
3-BOC-AMINOAZETIDINE 98%
Azetidin-3-yl-carbamic acid tert-butyl ester HCl
azetidine-3-yl-carbamic acid tert-butyl ester
1,1-Dimethylethyl 3-azetidinylcarbamate
3-Boc-Aaminoazetidine
[EINECS(EC#)]

676-108-2
[Molecular Formula]

C8H16N2O2
[MDL Number]

MFCD01861759
[Molecular Weight]

172.22
[MOL File]

91188-13-5.mol
Chemical PropertiesBack Directory
[Appearance]

white powder
[Melting point ]

63-72°C
[Boiling point ]

268℃
[density ]

1.06
[Fp ]

116°(241°F)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[form ]

powder
[pka]

12.26±0.40(Predicted)
[color ]

White
[Water Solubility ]

Soluble in water. (5g/100ml)
[InChI]

InChI=1S/C8H16N2O2/c1-8(2,3)12-7(11)10-6-4-9-5-6/h6,9H,4-5H2,1-3H3,(H,10,11)
[InChIKey]

NEMXVXVJGXZDRR-UHFFFAOYSA-N
[SMILES]

C(OC(C)(C)C)(=O)NC1CNC1
[CAS DataBase Reference]

91188-13-5(CAS DataBase Reference)
Questions And AnswerBack Directory
[Uses]

tert-Butyl N-Azetidin-3-ylcarbamate is a versatile reactant used in the preparation of substituted benzothiazoles via copper-catalyzed three-component domino condensation/S-arylation/heterocyclization reactions. Also used in the synthesis and pharmacokinetic evaluation of Et aminonicotinate sulfonylureas as antagonists of P2Y12 receptor.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

UN 3077 9 / PGIII
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

2933998090
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethyl acetate-->Methanol-->Diethyl ether-->Tetrahydrofuran-->Dichloromethane-->N,N-Dimethylformamide-->Toluene-->Magnesium sulfate-->Triethylamine-->Ammonia-->Sodium bicarbonate-->Palladium-->Acetonitrile-->1,4-Dioxane-->Isopropyl alcohol-->Dimethyl sulfoxide-->Di-tert-butyl dicarbonate-->Hydrazine hydrate-->Potassium iodide-->Epichlorohydrin-->Methanesulfonyl chloride-->Diisopropyl ether-->tert-Butyl methyl ether-->1,2-Dimethoxyethane-->Potassium phthalimide-->Benzhydrylamine-->Cetyltributylphosphonium bromide
Hazard InformationBack Directory
[Chemical Properties]

white powder
[Synthesis]

tert-Butyl 1-benzhydryl-3-azetidinylcarbamate

91189-18-3

3-N-Boc-amino-azetidine

91188-13-5

General procedure for the synthesis of 3-Boc-aminoazetidine from tert-butyl (1-diphenylmethylazetidin-3-yl)carbamate: a mixture of the feedstock (113 mg, 0.33 mmol) and 10% Pd/C catalyst (88 mg) in ethanol (3 mL) was subjected to a hydrogen atmosphere and reacted with stirring at room temperature for 2 hours. Upon completion of the reaction, the catalyst was removed by filtration and the filtrate was concentrated under reduced pressure to give 3-Boc-aminoazetidine (63 mg) as a white solid.

[References]

[1] Patent: US2004/147502, 2004, A1. Location in patent: Page/Page column 23; 25
[2] Patent: WO2004/112793, 2004, A1. Location in patent: Page/Page column 147
Spectrum DetailBack Directory
[Spectrum Detail]

3-N-Boc-amino-azetidine(91188-13-5)1HNMR
3-N-Boc-amino-azetidine(91188-13-5)FT-IR
91188-13-5 suppliers list
Company Name: Shanghai Send Pharmaceutical Technology Co., Ltd.  Gold
Telephone: +86-021-50266790 18317173152
Website: www.shsendpharma.com
Company Name: Hubei Kele Fine Chemical Co., Ltd  Gold
Telephone: 027-59101668 19945030958
Website: www.kerle.cn
Company Name: Wuhan Augda Biotechnology Co., Ltd  Gold
Telephone: 15071299552
Website: https://www.chemicalbook.com/supplier/24275232/1.htm
Company Name: Aikon International Limited  Gold
Telephone: 025-58859352 19370895928
Website: www.aikonchem.com
Company Name: Aikon International Limited  Gold
Telephone: 025-66061636 19370895928
Website: www.aikonchem.com
Company Name: Shanghai ZaiQi Bio-Tech Co., Ltd.  Gold
Telephone: +86-021-54824098 15317552526
Website: https://www.chemzq.com/en/product.html
Company Name: Anhui Leyong Biotechnology Co.,Ltd  Gold
Telephone: 15055708011
Website: www.leyongchem.com.cn/about.html
Company Name: J & K SCIENTIFIC LTD.  
Telephone: 18210857532 18210857532
Website: https://www.jkchemical.com
Company Name: Meryer (Shanghai) Chemical Technology Co., Ltd.  
Telephone: 4006356688 18621169109
Website: www.x-labseek.com/
Company Name: Alfa Aesar  
Telephone: 400-6106006
Website: http://chemicals.thermofisher.cn
Company Name: BeiJing Hwrk Chemicals Limted  
Telephone: 0757-86329057 18934348241
Website: www.hwrkchemical.com/
Company Name: Wuhan Chemwish Technology Co., Ltd  
Telephone: 86-027-67849912
Website: www.chemwish.com
Company Name: Capot Chemical Co., Ltd  
Telephone: +86 (0) 571 85 58 67 18
Website: www.capotchem.com
Company Name: JinYan Chemicals(ShangHai) Co.,Ltd.  
Telephone: 13817811078
Website: www.jingyan-chemical.com
Company Name: Sichuan Guanghan Bio-Tech Co., Ltd  
Telephone: +86-28-86127071
Website: www.sino-produce.com
Company Name: Accela ChemBio Co.,Ltd.  
Telephone: 021-50795510 4000665055
Website: http://www.shao-yuan.com/
Company Name: Shanghai Hanhong Scientific Co.,Ltd.  
Telephone: 021-54306202 13764082696
Website: https://www.hanhongsci.com
Company Name: China DongFan Chemical Co.,LTD  
Telephone: 86-0571-85151182
Website: www.chemicalbook.com/ShowSupplierProductsList14819/0_EN.htm
Tags:91188-13-5 Related Product Information
107-43-7 111-76-2 112-34-5 503-29-7 69327-76-0 51022-70-9 18559-94-9 122008-85-9 123-86-4 109-73-9 75-65-0 56-40-6 141-32-2 91188-13-5