ChemicalBook--->CAS DataBase List--->107819-90-9

107819-90-9

107819-90-9 Structure

107819-90-9 Structure
IdentificationBack Directory
[Name]

1,3-DI-BOC-2-METHYLISOTHIOUREA
[CAS]

107819-90-9
[Synonyms]

1,3-DI-BOC-2-METHYLISOTHIOURE
1,3-DI-BOC-2-METHYLISOTHIOUREA
N,N'-DI-BOC-S-METHYLISOTHIOUREA
Bis(Boc)-2-methyl-2-thiopseudourea
1,3-Bis(tert-butoxycarbonyl)-2-methylisothiourea
1,3-di-(tert-butoxycarbonyl)-2-Methylisothiourea
N,N'-Di(tert-butoxycarbonyl)-S-methylisothiourea
1,3-Di-tert-butyloxycarbonyl-S-methylisothiourea
N,N'-BIS(TERT-BUTOXYCARBONYL)-S-METHYLISOTHIOUREA
1,3-bis(tert-butoxycarbonyl)-2-methyl-2-thiopseud
1,3-Bis(tert-butoxycarbonyl)-2-methylthiopseudourea
1,3-BIS(TERT-BUTOXYCARBONYL)-2-METHYL-2-THIOPSEUDOUREA
N,N'-Bis(tert-butoxycarbonyl)-2-methyl-2-thiopseudourea
1,3-Bis(tert-butoxycarbonyl)-2-methyl-2-thiopseudourea,95%
N,N'-Bis(tert-butoxycarbonyl)-S-methylisothiourea≥ 98% (TLC)
1,3-Di-Boc-2-methylisothiourea, N,Nμ-Bis(tert-butoxycarbonyl)-S-methylisothiourea
CarbaMic acid,N-[[[(1,1-diMethylethoxy)carbonyl]aMino](Methylthio)Methylene]-,1,1-
[[[(1,1-Dimethylethoxy)carbonyl]amino](methylthio)methylene]carbamic acid 1,1-dimethylethyl ester
CarbaMic acid,N-[[[(1,1-diMethylethoxy)carbonyl]aMino](Methylthio)Methylene]-,1,1-diMethylethyl ester
1,3-Di-Boc-2-methylisothiourea, N,Nμ-Di-Boc-S-methylisothiourea, N,Nμ-Bis(tert-butoxycarbonyl)-S-methylisothiourea
1,3-Bis(tert-butoxycarbonyl)-2-methyl-2-thiopseudourea,1,3-Di-Boc-2-methylisothiourea, N,N′-Bis(tert-butoxycarbonyl)-S-methylisothiourea, N,N′-Di-Boc-S-methylisothiourea
[Molecular Formula]

C12H22N2O4S
[MDL Number]

MFCD00239356
[MOL File]

107819-90-9.mol
[Molecular Weight]

290.38
Chemical PropertiesBack Directory
[Appearance]

White crystalline powder
[Melting point ]

115-121 °C(lit.)
[density ]

1.10±0.1 g/cm3(Predicted)
[storage temp. ]

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

Acetonitrile (Very Slightly), Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

6.77±0.46(Predicted)
[color ]

White to Off-White
[BRN ]

5815984
[Major Application]

peptide synthesis
[InChI]

InChI=1S/C12H22N2O4S/c1-11(2,3)17-9(15)13-8(19-7)14-10(16)18-12(4,5)6/h1-7H3,(H,13,14,15,16)
[InChIKey]

UQJXXWHAJKRDKY-UHFFFAOYSA-N
[SMILES]

C(OC(C)(C)C)(=O)N=C(NC(OC(C)(C)C)=O)SC
Hazard InformationBack Directory
[Chemical Properties]

White crystalline powder
[Uses]

Reagent for the guanylation of amines.
[Synthesis]

Di-tert-butyl dicarbonate

24424-99-5

2-Methyl-2-thiopseudourea sulfate

867-44-7

1,3-DI-BOC-2-METHYLISOTHIOUREA

107819-90-9

E) Preparation of N,N'-di-Boc-S-methylisothiourea: Di-tert-butyl dicarbonate (100 g, 458 mmol) was dissolved in tert-butanol (300 mL) under stirring conditions. Subsequently, a solution of S-methylisothiourea sulfate (32.7 g, 117 mmol) in water (150 mL) was slowly added, followed by dropwise addition of sodium hydroxide (19.2 g, 480 mmol) in water (150 mL). The reaction mixture was stirred continuously for 48 hours at room temperature. Upon completion of the reaction, the mixture was concentrated to one-third of the original volume under reduced pressure and then diluted with ether (500 mL). The organic phase was separated and washed once with water (250 mL), three times with 1N citric acid solution (250 mL), and again with water (250 mL), in that order. The organic phase was dried over anhydrous magnesium sulfate, filtered and concentrated under reduced pressure to give 42 g (62% yield) of white solid product.

[References]

[1] Journal of Organic Chemistry, 1987, vol. 52, # 9, p. 1700 - 1703
[2] Patent: US5914319, 1999, A
[3] Patent: US5705487, 1998, A
[4] Patent: US5710130, 1998, A
[5] Patent: US5726159, 1998, A
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
[Safety Statements ]

24/25
[WGK Germany ]

3
[HS Code ]

29309090
[Storage Class]

11 - Combustible Solids
Spectrum DetailBack Directory
[Spectrum Detail]

1,3-DI-BOC-2-METHYLISOTHIOUREA(107819-90-9)1HNMR
1,3-DI-BOC-2-METHYLISOTHIOUREA(107819-90-9)FT-IR
1,3-DI-BOC-2-METHYLISOTHIOUREA(107819-90-9)IR
107819-90-9 suppliers list
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: TCI (Shanghai) Development Co., Ltd.  
Telephone: 021-67121386
Website: https://www.tcichemicals.com/CN/zh/
Company Name: Energy Chemical  
Telephone: 400-0056266
Website: www.energy-chemical.com
Company Name: Beijing Ouhe Technology Co., Ltd  
Telephone: 13552068683 13522913783
Website: www.ouhetech.cn/
Company Name: Nanjing Chemlin Chemical Co., Ltd  
Telephone: 025-83697070 13770331960
Website: www.echemlin.cn
Company Name: Shanghai Hanhong Scientific Co.,Ltd.  
Telephone: 021-54306202 13764082696
Website: https://www.hanhongsci.com
Company Name: Shanghai Ennopharm Co., Ltd.  
Telephone: +86 (21) 6435-5022
Website: www.chemicalbook.com/ShowSupplierProductsList13640/0_EN.htm
Company Name: Shanghai Youd Chemical Technology Co., Ltd.  
Telephone: 021-37910092 15821801668
Website: www.udchem.com
Company Name: Thermo Fisher Scientific  
Telephone: 800-810-5118
Website: www.thermo.com.cn
Company Name: Shanghai Aladdin Bio-Chem Technology Co.,LTD  
Telephone: 400-6206333 13167063860
Website: www.aladdin-e.com/
Company Name: Shanghai Raise Chemical Technology Co.,Ltd  
Telephone: +86-021-50935922
Website: www.raise-chem.com
Company Name: Yancheng Orgunion Pharmaceutical Sci & Tech Co., Ltd.  
Telephone: 0515-89701588 13770166955
Website: http://www.orgunion.com
Company Name: Shanghai Hekang Biotechnology Co., Ltd.  
Telephone: 17721021104 18939837085
Website: www.chemicalbook.com/showsupplierproductslist16212/0_en.htm
Company Name: Bide Pharmatech Ltd.  
Telephone: 400-164-7117 18317119277
Website: www.bidepharm.com
Company Name: Beijing FYF Chemicals Co., Ltd  
Telephone: 010-57903446 15869909019
Website: http://www.fyfchem.com
Company Name: Shanghai Balmxy Pharmaceutical Co., Ltd  
Telephone: 021-24206007 13764915196
Website: http://www.balmxy.com/
Company Name: Shanghai PharmOrgsyn Technology Co., LTD.  
Telephone: 021-+86-021-38228826
Website: http://www.pharmorgsyn.cn
Tags:107819-90-9 Related Product Information
94790-35-9 74124-79-1 51644-96-3 173998-77-1