[2-[(2-Methylpropan-2-yl)oxy]-1-(2-nitrophenyl)-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Base Information

Chemical Name:[2-[(2-Methylpropan-2-yl)oxy]-1-(2-nitrophenyl)-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CAS No.:158690-75-6
Molecular Formula:C21H30 N2 O8
Molecular Weight:438.47
Hs Code.:
DSSTox Substance ID:DTXSID10376369
Mol file:158690-75-6.mol

Synonyms:158690-75-6;[2-[(2-methylpropan-2-yl)oxy]-1-(2-nitrophenyl)-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;alpha-[4-[[(1,1-Dimethylethoxy)carbonyl]amino]-1-oxobutoxy]-2-nitro-, 1,1-dimethylethyl ester benzeneacetic acid;DTXSID10376369;RWDPHHHAJOLVBA-UHFFFAOYSA-N;FT-0622105;2-tert-Butoxy-1-(2-nitrophenyl)-2-oxoethyl 4-[(tert-butoxycarbonyl)amino]butanoate;Alpha-[4-[[(1,1-dimethylethoxy)carbonyl]amino]-1-oxobutoxy]-2-nitro-,1,1-dimethylethyl ester benzeneacetic acid

Suppliers and Price of [2-[(2-Methylpropan-2-yl)oxy]-1-(2-nitrophenyl)-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

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

American Custom Chemicals Corporation
ALPHA-[4-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-1-OXOBUTOXY]-2-NITRO-, 1,1-DIMETHYLETHYL ESTER BENZENEACETIC ACID 95.00%
5MG
$ 496.73

Total 3 raw suppliers

Chemical Property of [2-[(2-Methylpropan-2-yl)oxy]-1-(2-nitrophenyl)-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Chemical Property:

Vapor Pressure:4.16E-12mmHg at 25°C
Refractive Index:1.516
Boiling Point:549.1°Cat760mmHg
Flash Point:285.9°C
PSA：136.75000
Density:1.188g/cm³
LogP:4.73980
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:12
Exact Mass:438.20021592
Heavy Atom Count:31
Complexity:645

Purity/Quality:

98%Min ^*data from raw suppliers

ALPHA-[4-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-1-OXOBUTOXY]-2-NITRO-, 1,1-DIMETHYLETHYL ESTER BENZENEACETIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)C(C1=CC=CC=C1[N+](=O)[O-])OC(=O)CCCNC(=O)OC(C)(C)C

Technology Process of [2-[(2-Methylpropan-2-yl)oxy]-1-(2-nitrophenyl)-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

There total 4 articles about [2-[(2-Methylpropan-2-yl)oxy]-1-(2-nitrophenyl)-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate 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%

: 57294-38-9
N-(tert-butoxycarbonyl)-4-aminobutanoic acid

: 158078-62-7
tert-butyl 2-bromo-2-(2-nitrophenyl)acetate

: 158690-75-6
4-tert-Butoxycarbonylamino-butyric acid tert-butoxycarbonyl-(2-nitro-phenyl)-methyl ester

Guidance literature:: With 1,8-diazabicyclo[5.4.0]undec-7-ene; In benzene; Heating;
DOI:10.1021/ja00097a054

Reference yield:

: 22751-23-1
(2-nitrophenyl)acetyl chloride

: 158690-75-6
4-tert-Butoxycarbonylamino-butyric acid tert-butoxycarbonyl-(2-nitro-phenyl)-methyl ester

Guidance literature:: Multi-step reaction with 3 steps

2: NBS

3: 100 percent / 1,8-diazabicyclo<5.4.0>undec-7-ene / benzene / Heating

With N-Bromosuccinimide; 1,8-diazabicyclo[5.4.0]undec-7-ene; In benzene;
DOI:10.1021/ja00097a054

Reference yield:

: 3740-52-1
2-(2-nitrophenyl)acetic acid

: 158690-75-6
4-tert-Butoxycarbonylamino-butyric acid tert-butoxycarbonyl-(2-nitro-phenyl)-methyl ester

Guidance literature:: Multi-step reaction with 4 steps

1: (COCl)2

3: NBS

4: 100 percent / 1,8-diazabicyclo<5.4.0>undec-7-ene / benzene / Heating

With N-Bromosuccinimide; oxalyl dichloride; 1,8-diazabicyclo[5.4.0]undec-7-ene; In benzene;
DOI:10.1021/ja00097a054