beta-Alanine, N-(N-(4-chlorobenzoyl)-N-(2,6-dimethylphenyl)glycyl)-

Base Information

Chemical Name:beta-Alanine, N-(N-(4-chlorobenzoyl)-N-(2,6-dimethylphenyl)glycyl)-
CAS No.:71455-87-3
Molecular Formula:C₂₀H₂₁ClN₂O₄
Molecular Weight:388.851
Hs Code.:
DSSTox Substance ID:DTXSID30221660
Wikidata:Q83099563
Mol file:71455-87-3.mol

Synonyms:beta-Alanine, N-(N-(4-chlorobenzoyl)-N-(2,6-dimethylphenyl)glycyl)-;71455-87-3;N-(N-(p-Chlorobenzoyl)-2-(2,6-dimethylanilino)acetyl)-3-aminopropionic acid;N-(N-(4-Chlorobenzoyl)-N-(2,6-dimethylphenyl)glycyl)beta-alanine;SCHEMBL11220495;DTXSID30221660;LS-15935

Suppliers and Price of beta-Alanine, N-(N-(4-chlorobenzoyl)-N-(2,6-dimethylphenyl)glycyl)-

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

Total 3 raw suppliers

Chemical Property of beta-Alanine, N-(N-(4-chlorobenzoyl)-N-(2,6-dimethylphenyl)glycyl)-

Chemical Property:

Vapor Pressure:8.57E-18mmHg at 25°C
Boiling Point:650.2°C at 760 mmHg
Flash Point:347°C
PSA：90.20000
Density:1.305g/cm³
LogP:4.03480
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:388.1189848
Heavy Atom Count:27
Complexity:524

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(=CC=C1)C)N(CC(=O)NCCC(=O)O)C(=O)C2=CC=C(C=C2)Cl

Technology Process of beta-Alanine, N-(N-(4-chlorobenzoyl)-N-(2,6-dimethylphenyl)glycyl)-

There total 4 articles about beta-Alanine, N-(N-(4-chlorobenzoyl)-N-(2,6-dimethylphenyl)glycyl)- 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:

: 71456-22-9
ethyl N-[N-(p-chlorobenzoyl)-2-(2,6-dimethylanilino)acetyl]aminopropionate

: 71455-87-3
N-[N-(p-chlorobenzoyl)-2-(2,6-dimethylanilino)acetyl]-3-aminopropionic acid

Guidance literature:: With potassium hydroxide;

Reference yield:

: 71455-20-4
N-(p-chlorobenzoyl)-2,6-dimethylanilinoacetic acid

: 71455-87-3
N-[N-(p-chlorobenzoyl)-2-(2,6-dimethylanilino)acetyl]-3-aminopropionic acid

Guidance literature:: Multi-step reaction with 2 steps

1: (i) ClCO₂Et, Et₃N, (ii) /BRN= 1700746/

2: potassium hydroxide

With potassium hydroxide;

Reference yield:

: 122-01-0
4-chloro-benzoyl chloride

: 71455-87-3
N-[N-(p-chlorobenzoyl)-2-(2,6-dimethylanilino)acetyl]-3-aminopropionic acid

Guidance literature:: Multi-step reaction with 3 steps

1: (i) Py, (ii) KOH

2: (i) ClCO₂Et, Et₃N, (ii) /BRN= 1700746/

3: potassium hydroxide

With potassium hydroxide;