tert-Butyl N-(2,3-dihydroxypropyl)carbamate

Base Information

• Chemical Name: tert-Butyl N-(2,3-dihydroxypropyl)carbamate
• CAS No.: 137618-48-5
• Molecular Formula: C8H17NO4
• Molecular Weight: 191.227
• Hs Code.: 2924199090
• European Community (EC) Number: 872-320-6
• DSSTox Substance ID: DTXSID10400850
• Nikkaji Number: J416.131I
• Mol file: 137618-48-5.mol

Synonyms:137618-48-5;tert-Butyl (2,3-dihydroxypropyl)carbamate;tert-Butyl N-(2,3-dihydroxypropyl)carbamate;BOC-(RS)-3-AMINO-1,2-PROPANEDIOL;N-Boc-3-amino-1,2-propanediol;MFCD01321265;tert-Butyl 2,3-dihydroxypropylcarbamate;Carbamic acid, (2,3-dihydroxypropyl)-, 1,1-dimethylethyl ester;(2,3-dihydroxy-propyl)-carbamic acid tert-butyl ester;3-Bocamino-1,2-propanediol;3-boc-amino-1,2-propanediol;Boc-3-amino-1,2-propanediol;SCHEMBL1222348;DTXSID10400850;3-(Boc-amino)-1,2-propanediol;OWAMQHJPVUGZSB-UHFFFAOYSA-N;AKOS009156441;SB44784;SB46093;t-butyl (2,3-dihydroxypropyl)carbamate;3-t-butoxycarbonylamino-1,2-propanediol;AM803188;AS-10437;SY031868;t-butyl N-(2,3-dihydroxypropyl)carbamate;3-(t-butoxycarbonylamino)-2-hydroxypropanol;CS-0036813;FT-0691758;3-(tert-Butoxycarbonylamino)-1,2-propanediol;1-(tert-butyloxycarbonylamino)propane-2,3-diol;1-(tert-butyloxycarbonylamino)propane-2.3-diol;EN300-159775;1-[(tert-butyloxycarbonyl)amino]propane-2,3-diol;A886418;J-007046;tert-Butyl N-(2,3-dihydroxypropyl)carbamate, 97%;Carbamic acid, N-(2,3-dihydroxypropyl)-, 1,1-dimethylethyl ester

Chemical Property of tert-Butyl N-(2,3-dihydroxypropyl)carbamate

Chemical Property:

• Vapor Pressure: 1.09E-06mmHg at 25°C
• Melting Point: 60-63 °C(lit.)
• Refractive Index: 1.475
• Boiling Point: 361.6°C at 760 mmHg
• PKA: 12.19±0.46(Predicted)
• Flash Point: 172.5°C
• PSA: 78.79000
• Density: 1.136g/cm³
• LogP: 0.25520
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 191.11575802
• Heavy Atom Count: 13
• Complexity: 164

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-[(tert-Butyloxycarbonyl)amino]propane-2,3-diol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCC(CO)O
• Uses: tert-Butyl N-(2,3-dihydroxypropyl)carbamate may be used in the preparation of isobaric mix solution for use in post-column infusion experiment during single-stage orbitrap mass spectrometric analysis.

Technology Process of tert-Butyl N-(2,3-dihydroxypropyl)carbamate

There total 5 articles about tert-Butyl N-(2,3-dihydroxypropyl)carbamate 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: 100.0%

3-Amino-1,2-propanediol (616-30-8,13552-31-3,98923-21-8) + di-tert-butyl dicarbonate (24424-99-5) → tert-butyl N-(2,3-dihydroxypropyl)carbamate (137618-48-5)

Guidance literature:

In ethanol; at 20 ℃; for 1h;

DOI:10.1016/j.bmcl.2009.11.078

Reference yield: 100.0%

→ tert-butyl N-(2,3-dihydroxypropyl)carbamate (137618-48-5)

Guidance literature:

Reference yield: 76.0%

tert-butyl[((+/-)-2,2-dimethyl-1,3-dioxolan-4-yl)methyl]carbamate (949086-94-6) → tert-butyl N-(2,3-dihydroxypropyl)carbamate (137618-48-5)

Guidance literature:

With tert.-butylhydroperoxide; In water; tert-butyl alcohol; for 12h; chemoselective reaction; Reflux;

DOI:10.1055/s-0030-1259917

upstream raw materials:

3-Amino-1,2-propanediol

di-tert-butyl dicarbonate

tert-butyl[((+/-)-2,2-dimethyl-1,3-dioxolan-4-yl)methyl]carbamate

tert-butyldicarbonate

Downstream raw materials:

N-(t-butoxycarbonyl)glycinal

(E)-tert-butyl 3-(phenylsulfonyl)allylcarbamate

1,2-diazido-3-(BOC-amino)propane

1,2-diamino-3-(BOC-amino)propane

Refernces

• 1、 Zheng, Yaxin,Lei, Jie,Li, Qi,Jin, Xuan,Li, Qingyuan,Li, Yang. "Interfacial cationization to quicken redox-responsive drug release". . p. 2943 - 2946. Retrieved 2021.
• 2、 Wolf, Eckardt,Kennedy, Isaac A.,Himmeldirk, Klaus,Spenser, Ian D.. "5-hydroxypentane-2,3-dione and 3-amino-1-hydroxypropan-2-one, putative precursors of vitamin B6". . p. 942 - 948. Retrieved 1997.
• 3、 -. "DIFLUOROHALOALLYLAMINE SULFONE DERIVATIVE INHIBITORS OF LYSYL OXIDASES, METHODS OF PREPARATION, AND USES THEREOF". Paragraph 0282-0283. . Retrieved 2021/01/29.
• 4、 -. "Preparation and application of aminourea sensitive amine oxidase inhibitor". Paragraph 0105-0110. . Retrieved 2021/07/24.