Carbamic acid, (3-hydroxy-1-methylpropyl)-, 1,1-dimethylethyl ester (9CI)

Base Information

• Chemical Name: Carbamic acid, (3-hydroxy-1-methylpropyl)-, 1,1-dimethylethyl ester (9CI)
• CAS No.: 146514-31-0
• Molecular Formula: C₉H₁₉NO₃
• Molecular Weight: 189.255
• Hs Code.: 2924199090
• Mol file: 146514-31-0.mol

Synonyms:Carbamicacid, (3-hydroxy-1-methylpropyl)-, 1,1-dimethylethyl ester (9CI);(3-Hydroxy-1-methylpropyl)carbamic acid tert-butyl ester;3-((tert-Butoxycarbonyl)amino)butanol

Chemical Property of Carbamic acid, (3-hydroxy-1-methylpropyl)-, 1,1-dimethylethyl ester (9CI)

Chemical Property:

• Boiling Point: 301.4 °C at 760 mmHg
• PKA: 12.32±0.46(Predicted)
• Flash Point: 136.1 °C
• PSA: 58.56000
• Density: 1.01 g/cm³
• LogP: 1.67290

Purity/Quality:

98.5% ^*data from raw suppliers

DL-3-(BOC-Amino)-1-butanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Carbamic acid, (3-hydroxy-1-methylpropyl)-, 1,1-dimethylethyl ester (9CI)

There total 25 articles about Carbamic acid, (3-hydroxy-1-methylpropyl)-, 1,1-dimethylethyl ester (9CI) which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

(+)-tert-butyl [(R)-1-methylprop-2-en-1-yl]carbamate (1047665-48-4) → (-)-tert-butyl [(R)-3-hydroxy-1-methylpropyl]carbamate (167216-17-3,146514-31-0)

Guidance literature:

(+)-tert-butyl [(R)-1-methylprop-2-en-1-yl]carbamate; With 9-bora-bicyclo[3.3.1]nonane; In tetrahydrofuran;

With sodium hydroxide; dihydrogen peroxide; In ethanol;

DOI:10.1002/chem.200802525

Reference yield: 96.0%

methyl 3-(R)-[N-(tert-butoxycarbonyl)amino]-propanoate (159877-47-1) → (-)-tert-butyl [(R)-3-hydroxy-1-methylpropyl]carbamate (167216-17-3,146514-31-0)

Guidance literature:

With RuH(η1-BH4)(dppp)((R,R)-dpen); hydrogen; In tetrahydrofuran; at 80 ℃; for 16h; under 37503.8 Torr; Autoclave;

DOI:10.1002/adsc.200900114

Reference yield: 95.0%

(R)-3-((tert-butoxycarbonyl)amino)butanoic acid (159991-23-8) → (-)-tert-butyl [(R)-3-hydroxy-1-methylpropyl]carbamate (167216-17-3,146514-31-0)

Guidance literature:

With sodium tetrahydroborate; boron trifluoride diethyl etherate; In tetrahydrofuran; at -20 ℃; Green chemistry;

upstream raw materials:

(-)-tert-butyl [(1S)-1-methylprop-2-en-1-yl]carbamate

(S)-methyl 3-(tert-butyloxycarbonylamino)butyrate

L-N-Boc-Ala

di-tert-butyl dicarbonate

Downstream raw materials:

(+)-tert-butyl [(R)-1-methyl-3-oxopropyl]carbamate

(R)-3-amino-1-butanol

(3S)-1-bromo-t-butoxycarbonylbutan-3-ylamine

Refernces

• 1、 -. "BICYCLIC COMPOUNDS". Paragraph 00518. . Retrieved 2020/06/01.
• 2、 -. "APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS AND USES THEREOF". Paragraph 00614. . Retrieved 2019/04/09.