Tert-butyl N-(1-oxobutan-2-yl)carbamate

Base Information

Chemical Name:Tert-butyl N-(1-oxobutan-2-yl)carbamate
CAS No.:346690-97-9
Molecular Formula:C9H17NO3
Molecular Weight:187.23600
Hs Code.:2924199090
European Community (EC) Number:958-454-9
DSSTox Substance ID:DTXSID30461201
Mol file:346690-97-9.mol

Synonyms:346690-97-9;Tert-butyl N-(1-oxobutan-2-yl)carbamate;Carbamic acid, (1-formylpropyl)-, 1,1-dimethylethyl ester;SCHEMBL1802737;DTXSID30461201;NBDAUFXJXMBQRC-UHFFFAOYSA-N;MFCD09751779;AKOS024128197;tert-Butyl (1-oxobutan-2-yl)carbamate;EN300-325723;(1-formyl-propyl)-carbamic acid tert-butyl ester

Suppliers and Price of Tert-butyl N-(1-oxobutan-2-yl)carbamate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
1,1-Dimethylethyl(1-Formylpropyl)carbamate
50mg
$ 155.00

American Custom Chemicals Corporation
TERT-BUTYL 1-FORMYLPROPYLCARBAMATE 95.00%
5MG
$ 505.37

Total 2 raw suppliers

Chemical Property of Tert-butyl N-(1-oxobutan-2-yl)carbamate

Chemical Property:

Boiling Point:266.5±23.0 °C(Predicted)
PKA:11.43±0.46(Predicted)
PSA：58.89000
Density:1.000±0.06 g/cm3(Predicted)
LogP:1.69300
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:187.12084340
Heavy Atom Count:13
Complexity:184

Purity/Quality:

99% ^*data from raw suppliers

1,1-Dimethylethyl(1-Formylpropyl)carbamate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(C=O)NC(=O)OC(C)(C)C

Technology Process of Tert-butyl N-(1-oxobutan-2-yl)carbamate

There total 3 articles about Tert-butyl N-(1-oxobutan-2-yl)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: 92.2%

: 193086-15-6
(1-(hydroxymethyl)propyl)carbamic acid tert-butyl ester

: 346690-97-9
N-(tert-butoxycarbonyl)-2-aminobutanal

Guidance literature:: With sulfur trioxide pyridine complex; triethylamine; In dimethyl sulfoxide; at 15 - 20 ℃;

Reference yield: 76.0%

: 58561-08-3
methyl N-(tert-butoxycarbonyl)-2-aminobutyrate

: 346690-97-9
N-(tert-butoxycarbonyl)-2-aminobutanal

Guidance literature:: With diisobutylaluminium hydride; In toluene; at -78 ℃; for 0.75h;
DOI:10.1021/jm010329a

Reference yield:

: 24424-99-5
di-tert-butyl dicarbonate

: 346690-97-9
N-(tert-butoxycarbonyl)-2-aminobutanal

Guidance literature:: Multi-step reaction with 2 steps

1: triethylamine / dichloromethane / 16 h / Inert atmosphere; Cooling with ice

2: 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione / dimethyl sulfoxide / 2 h / 20 °C / Inert atmosphere

With triethylamine; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In dichloromethane; dimethyl sulfoxide;
DOI:10.3998/ark.5550190.0013.717