1-[2-(4-Amino-3-chloro-benzoylamino)-3,3-dimethyl-butyryl]-pyrrolidine-2-carboxylic acid

Base Information

Chemical Name:1-[2-(4-Amino-3-chloro-benzoylamino)-3,3-dimethyl-butyryl]-pyrrolidine-2-carboxylic acid
CAS No.:851091-96-8
Molecular Formula:C₂₄H₃₃ClN₄O₆
Molecular Weight:509.002
Hs Code.:
DSSTox Substance ID:DTXSID001005502
Mol file:851091-96-8.mol

Synonyms:SCHEMBL478382;OEJZRYKJPTYMGK-UHFFFAOYSA-N;DTXSID001005502;1-[2-(4-amino-3-chloro-benzoylamino)-3,3-dimethyl-butyryl]-pyrrolidine-2-carboxylic acid

Suppliers and Price of 1-[2-(4-Amino-3-chloro-benzoylamino)-3,3-dimethyl-butyryl]-pyrrolidine-2-carboxylic acid

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

Tocris
VX765 ≥98%(HPLC)
10
$ 89.00

American Custom Chemicals Corporation
1-[2-[(4-AMINO-3-CHLOROBENZOYL)AMINO]-3,3-DIMETHYLBUTANOYL]PYRROLIDINE-2-CARBOXYLIC ACID 95.00%
5MG
$ 499.61

Total 40 raw suppliers

Chemical Property of 1-[2-(4-Amino-3-chloro-benzoylamino)-3,3-dimethyl-butyryl]-pyrrolidine-2-carboxylic acid

Chemical Property:

Melting Point:118-121°C
Storage Temp.:Refrigerator
Solubility.:DMSO (Slightly), Methanol (Slightly)
XLogP3:2.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:381.1455339
Heavy Atom Count:26
Complexity:563

Purity/Quality:

99% ^*data from raw suppliers

VX765 ≥98%(HPLC) ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)C(C(=O)N1CCCC1C(=O)O)NC(=O)C2=CC(=C(C=C2)N)Cl

Technology Process of 1-[2-(4-Amino-3-chloro-benzoylamino)-3,3-dimethyl-butyryl]-pyrrolidine-2-carboxylic acid

There total 16 articles about 1-[2-(4-Amino-3-chloro-benzoylamino)-3,3-dimethyl-butyryl]-pyrrolidine-2-carboxylic acid 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: 77.0%

CH₂Cl₂/MeOH: CH₂Cl₂/MeOH

: 1-[2-(4-amino-3-chloro-benzoylamino)-3,3-dimethyl-butyryl]-pyrrolidine-2-carboxylic acid

1,3-dimethylbarbituric acid (DMBA): 1,3-dimethylbarbituric acid (DMBA)

diisopropylethylamine (DIPEA): diisopropylethylamine (DIPEA)

: 851091-96-8,273404-37-8
1-[2-(4-amino-3-chloro-benzoylamino)-3,3-dimethyl-butyryl]-pyrrolidine-2-carboxylic acid (2-ethoxy-5-oxo-tetrahydro-furan-3-yl)-amide

Guidance literature:: With 1,2-dichloro-ethane; Pd(PPh₃)4; In dichloromethane; N,N-dimethyl-formamide;

Reference yield: 72.0%

: 409369-63-7
3-amino-4-oxo-butanoic acid β-tert-butyl ester diethyl acetal

: 374773-70-3
(S)-1-((S)-2-(4-amino-3-chlorobenzamido)-3,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid

: 851091-96-8,273404-37-8
VX-765

Guidance literature:: 3-amino-4-oxo-butanoic acid β-tert-butyl ester diethyl acetal; With N,N-dimethyl-formamide; for 0.0833333h;

(S)-1-((S)-2-(4-amino-3-chlorobenzamido)-3,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid; With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; at 0 ℃; for 1h;

With trifluoroacetic acid; In dichloromethane; for 1h;
DOI:10.1002/cmdc.200900531

Reference yield: 72.0%

: 409369-63-7
3-amino-4-oxo-butanoic acid β-tert-butyl ester diethyl acetal

: 374773-70-3
(S)-1-((S)-2-(4-amino-3-chlorobenzamido)-3,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid

: 851091-96-8,273404-37-8
C₂₄H₃₃ClN₄O₆

Guidance literature:: 3-amino-4-oxo-butanoic acid β-tert-butyl ester diethyl acetal; In N,N-dimethyl-formamide; for 0.0833333h;

(S)-1-((S)-2-(4-amino-3-chlorobenzamido)-3,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid; With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; at 0 ℃; for 1h;

With trifluoroacetic acid; In dichloromethane; for 1h;