{4-[(1e)-3,3-Dimethyltriaz-1-en-1-yl]phenyl}acetic acid

Base Information

Chemical Name:{4-[(1e)-3,3-Dimethyltriaz-1-en-1-yl]phenyl}acetic acid
CAS No.:6313-34-4
Molecular Formula:C6H5 N O6 S . Na
Molecular Weight:241.157
Hs Code.:
DSSTox Substance ID:DTXSID80276281
Mol file:6313-34-4.mol

Synonyms:1-(4-acetyphenyl)-3,3-dimethyltriazene

Suppliers and Price of {4-[(1e)-3,3-Dimethyltriaz-1-en-1-yl]phenyl}acetic 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-[(1e)-3,3-Dimethyltriaz-1-en-1-yl]phenyl}acetic acid

Chemical Property:

PSA：128.80000
LogP:2.15110
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:207.100776666
Heavy Atom Count:15
Complexity:233

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CN(C)N=NC1=CC=C(C=C1)CC(=O)O

Technology Process of {4-[(1e)-3,3-Dimethyltriaz-1-en-1-yl]phenyl}acetic acid

There total 9 articles about {4-[(1e)-3,3-Dimethyltriaz-1-en-1-yl]phenyl}acetic 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: 98.1%

: 88-75-5,78813-12-4
2-hydroxynitrobenzene

: 6313-34-4
sodium 4-hydroxy-3-nitrobenzenesulfonate

Guidance literature:: 2-hydroxynitrobenzene; With chlorosulfonic acid; at 110 ℃; for 2h;

With sodium carbonate; In water; at 20 ℃;

Reference yield:

: 4134-83-2
4-acetoxy-3-nitrobenzenesulfonate natrium salt

: 56-40-6,18875-39-3,25718-94-9
glycine

: 6313-34-4
sodium 4-hydroxy-3-nitrobenzenesulfonate

: 543-24-8
N-acetylglycine

Guidance literature:: With potassium chloride; In water; at 25 ℃; Rate constant; Mechanism; Product distribution; various pH, aminolysis;
DOI:10.1021/jo9514681

Reference yield:

: 4134-83-2
4-acetoxy-3-nitrobenzenesulfonate natrium salt

: 74-89-5
methylamine

: 79-16-3
N-methyl-acetamide

: 6313-34-4
sodium 4-hydroxy-3-nitrobenzenesulfonate

Guidance literature:: With potassium chloride; In water; at 25 ℃; Rate constant; Mechanism; Product distribution; various pH, aminolysis;
DOI:10.1021/jo9514681