4-(Bis{2-[(methanesulfonyl)oxy]ethyl}amino)benzoic acid

Base Information

Chemical Name:4-(Bis{2-[(methanesulfonyl)oxy]ethyl}amino)benzoic acid
CAS No.:93985-39-8
Molecular Formula:C₁₃H₁₉NO₈S₂
Molecular Weight:381.428
Hs Code.:2922509090
NSC Number:59640
DSSTox Substance ID:DTXSID60289177
Nikkaji Number:J445.073F
Wikidata:Q82026373
ChEMBL ID:CHEMBL421504
Mol file:93985-39-8.mol

Synonyms:93985-39-8;NSC59640;NCIOpen2_007894;CHEMBL421504;4-(Bis{2-[(methanesulfonyl)oxy]ethyl}amino)benzoic acid;DTXSID60289177;NSC-59640;Benzoic acid, dimethanesulfonate (ester);NCI60_004454;4-(BIS(2-METHYLSULFONYLOXYETHYL)AMINO)BENZOIC ACID;Benzoic acid, 4-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]-

Suppliers and Price of 4-(Bis{2-[(methanesulfonyl)oxy]ethyl}amino)benzoic 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 5 raw suppliers

Chemical Property of 4-(Bis{2-[(methanesulfonyl)oxy]ethyl}amino)benzoic acid

Chemical Property:

Vapor Pressure:2.19E-19mmHg at 25°C
Boiling Point:679.4°Cat760mmHg
Flash Point:364.7°C
PSA：144.04000
Density:1.462g/cm³
LogP:2.30520
XLogP3:0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:10
Exact Mass:381.05520891
Heavy Atom Count:24
Complexity:559

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=CC=C(C=C1)C(=O)O

Technology Process of 4-(Bis{2-[(methanesulfonyl)oxy]ethyl}amino)benzoic acid

There total 4 articles about 4-(Bis{2-[(methanesulfonyl)oxy]ethyl}amino)benzoic 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:

: 123724-58-3
4-amino>benzoyl-L-glutamic acid

: 93985-39-8
p--benzoesaeure

Guidance literature:: With bacterial enzyme carboxypeptidase (CPG₂);
DOI:10.1021/jm00164a034

Reference yield:

: 123724-54-9
di-tert-butyl 4-benzoyl-L-glutamate

: 93985-39-8
p--benzoesaeure

Guidance literature:: Multi-step reaction with 3 steps

1: 22 percent / acetic acid / 1.) 2 deg C, 20 min, 2.) 50 deg C, 10 min

2: 83 percent / trifluoroacetic acid / 0.5 h / Ambient temperature

3: bacterial enzyme carboxypeptidase (CPG₂)

With bacterial enzyme carboxypeptidase (CPG₂); acetic acid; trifluoroacetic acid;
DOI:10.1021/jm00164a034

Reference yield:

: 123724-55-0
di-tert-butyl 4-amino>benzoyl-L-glutamate

: 93985-39-8
p--benzoesaeure

Guidance literature:: Multi-step reaction with 2 steps

1: 83 percent / trifluoroacetic acid / 0.5 h / Ambient temperature

2: bacterial enzyme carboxypeptidase (CPG₂)

With bacterial enzyme carboxypeptidase (CPG₂); trifluoroacetic acid;
DOI:10.1021/jm00164a034