4-{4-[(2-Chloroethyl)(ethyl)amino]phenyl}butanoic acid

Base Information

Chemical Name:4-{4-[(2-Chloroethyl)(ethyl)amino]phenyl}butanoic acid
CAS No.:6296-43-1
Molecular Formula:C14H20ClNO2
Molecular Weight:269.7671
Hs Code.:
NSC Number:47539
UNII:6K739F3D6A
DSSTox Substance ID:DTXSID40978815
Nikkaji Number:J969.026C
Wikidata:Q82964302

Synonyms:6K739F3D6A;NSC-47539;6296-43-1;Benzenebutanoic acid, 4-((2-chloroethyl)ethylamino)-;4-((2-Chloroethyl)ethylamino)benzenebutanoic acid;4-[(2-Chloroethyl)ethylamino]benzenebutanoic acid;Benzenebutanoic acid, 4-[(2-chloroethyl)ethylamino]-;4-{4-[(2-chloroethyl)(ethyl)amino]phenyl}butanoic acid;NSC47539;UNII-6K739F3D6A;4-[4-[2-chloroethyl(ethyl)amino]phenyl]butanoic acid;DTXSID40978815;NSC 47539;p-[N-Ethyl-N-(2-chloroethyl)amino]phenylbutyric acid;Butyric acid, 4-[p-[(2-chloroethyl)ethylamino]phenyl]-

Suppliers and Price of 4-{4-[(2-Chloroethyl)(ethyl)amino]phenyl}butanoic 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

Total 6 raw suppliers

Chemical Property of 4-{4-[(2-Chloroethyl)(ethyl)amino]phenyl}butanoic acid

Chemical Property:

Vapor Pressure:6.8E-08mmHg at 25°C
Boiling Point:422.5°C at 760 mmHg
Flash Point:209.3°C
Density:1.161g/cm³
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:8
Exact Mass:269.1182566
Heavy Atom Count:18
Complexity:240

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCN(CCCl)C1=CC=C(C=C1)CCCC(=O)O

Technology Process of 4-{4-[(2-Chloroethyl)(ethyl)amino]phenyl}butanoic acid

There total 4 articles about 4-{4-[(2-Chloroethyl)(ethyl)amino]phenyl}butanoic 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: 92.0%

: 131042-33-6
methyl 4-<4-<(2-chloroethyl)ethylamino>phenyl>butanoate

: 6296-43-1
4-<4-<(2-chloroethyl)ethylamino>phenyl>butanoic acid

Guidance literature:: With hydrogenchloride; for 0.75h; Heating;
DOI:10.1021/jm00105a038

Reference yield:

: 92196-84-4
methyl 4-<4-(ethylamino)phenyl>butanoate

: 6296-43-1
4-<4-<(2-chloroethyl)ethylamino>phenyl>butanoic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 90 percent / tetrahydrofuran; acetic acid / 96 h

2: Et₃N / CH₂Cl₂ / 0.5 h / 0 °C

3: LiCl / dimethylformamide / 0.08 h / 120 °C

4: 92 percent / concd. HCl / 0.75 h / Heating

With hydrogenchloride; triethylamine; lithium chloride; In tetrahydrofuran; dichloromethane; acetic acid; N,N-dimethyl-formamide;
DOI:10.1021/jm00105a038

Reference yield:

: 92727-04-3
methyl 4-<4-phenyl>butanoate

: 6296-43-1
4-<4-<(2-chloroethyl)ethylamino>phenyl>butanoic acid

Guidance literature:: Multi-step reaction with 3 steps

1: Et₃N / CH₂Cl₂ / 0.5 h / 0 °C

2: LiCl / dimethylformamide / 0.08 h / 120 °C

3: 92 percent / concd. HCl / 0.75 h / Heating

With hydrogenchloride; triethylamine; lithium chloride; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm00105a038