4-[2-[(Methylsulfonyl)amino]ethyl]benzeneacetic acid

Base Information

Chemical Name:4-[2-[(Methylsulfonyl)amino]ethyl]benzeneacetic acid
CAS No.:79094-23-8
Molecular Formula:C₁₁H₁₅NO₄S
Molecular Weight:257.31
Hs Code.:
DSSTox Substance ID:DTXSID001217519

Synonyms:79094-23-8;4-[2-[(Methylsulfonyl)amino]ethyl]benzeneacetic acid;SCHEMBL11109419;DTXSID001217519

Suppliers and Price of 4-[2-[(Methylsulfonyl)amino]ethyl]benzeneacetic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 4-[2-[(Methylsulfonyl)amino]ethyl]benzeneacetic acid

Chemical Property:

XLogP3:0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:257.07217913
Heavy Atom Count:17
Complexity:339

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CS(=O)(=O)NCCC1=CC=C(C=C1)CC(=O)O

Technology Process of 4-[2-[(Methylsulfonyl)amino]ethyl]benzeneacetic acid

There total 6 articles about 4-[2-[(Methylsulfonyl)amino]ethyl]benzeneacetic 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: 57.0%

: 79094-23-8
[4-(2-methanesulfonylamino-ethyl)-phenyl]-acetic acid

Guidance literature:

Reference yield:

: 210115-50-7
[4-(2-methanesulfonylamino-ethyl)-phenyl]-acetic acid methyl ester

: 79094-23-8
[4-(2-methanesulfonylamino-ethyl)-phenyl]-acetic acid

Guidance literature:: With lithium hydroxide; In tetrahydrofuran; at 25 ℃;
DOI:10.1016/j.bmcl.2005.03.020

Reference yield:

: 13737-36-5
4-bromophenylacetic acid

: 79094-23-8
[4-(2-methanesulfonylamino-ethyl)-phenyl]-acetic acid

Guidance literature:: Multi-step reaction with 5 steps

1: 58 percent / EDC; DMAP / tetrahydrofuran / 25 °C

2: 26 percent / dimethylformamide / 25 °C

3: 59 percent / H₂; aq. HCl / Pd/C / methanol / 25 °C / 3620.04 Torr

4: Et₃N / CH₂Cl₂ / 25 °C

5: aq. LiOH / tetrahydrofuran / 25 °C

With hydrogenchloride; dmap; lithium hydroxide; hydrogen; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; triethylamine; palladium on activated charcoal; In tetrahydrofuran; methanol; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1016/j.bmcl.2005.03.020