4-[3-[[3-(1-Hydroxycyclohexyl)-2-propyn-1-yl](methylsulfonyl)amino]propyl]benzoic acid

Base Information

Chemical Name:4-[3-[[3-(1-Hydroxycyclohexyl)-2-propyn-1-yl](methylsulfonyl)amino]propyl]benzoic acid
CAS No.:70108-04-2
Molecular Formula:C₂₀H₂₇NO₅S
Molecular Weight:393.504
Hs Code.:
ChEMBL ID:CHEMBL116610
DSSTox Substance ID:DTXSID401125843

Synonyms:CHEMBL116610;SCHEMBL11636305;DTXSID401125843;4-[3-[[3-(1-Hydroxycyclohexyl)-2-propyn-1-yl](methylsulfonyl)amino]propyl]benzoic acid;70108-04-2

Suppliers and Price of 4-[3-[[3-(1-Hydroxycyclohexyl)-2-propyn-1-yl](methylsulfonyl)amino]propyl]benzoic 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-[3-[[3-(1-Hydroxycyclohexyl)-2-propyn-1-yl](methylsulfonyl)amino]propyl]benzoic acid

Chemical Property:

XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:393.16099414
Heavy Atom Count:27
Complexity:656

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CS(=O)(=O)N(CCCC1=CC=C(C=C1)C(=O)O)CC#CC2(CCCCC2)O

Technology Process of 4-[3-[[3-(1-Hydroxycyclohexyl)-2-propyn-1-yl](methylsulfonyl)amino]propyl]benzoic acid

There total 4 articles about 4-[3-[[3-(1-Hydroxycyclohexyl)-2-propyn-1-yl](methylsulfonyl)amino]propyl]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:

: 85431-04-5
ethyl 4-<3-methanesulfonamido>propyl>benzoate

: 70108-04-2
4-<3-methanesulfonamido>propyl>benzoic acid

Guidance literature:: With sodium hydroxide; In methanol; water; for 2h; Yield given; Heating;
DOI:10.1021/jm00357a005

Reference yield:

: 6309-79-1
4-(3-Bromo-propyl)-benzoic acid

: 70108-04-2
4-<3-methanesulfonamido>propyl>benzoic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 89 percent / conc. H₂SO₄ / benzene / 23 h / Heating

2: 1.) NaH / 1.) benzene, DMF, 90 deg C, 2.5 h, 2.) benzene, DMF, 90 deg C, 28 h

3: NaH / benzene; dimethylformamide / 1 h / 60 °C

4: NaOH / methanol; H₂O / 2 h / Heating

With sodium hydroxide; sulfuric acid; sodium hydride; In methanol; water; N,N-dimethyl-formamide; benzene;
DOI:10.1021/jm00357a005

Reference yield:

: 56703-31-2
4-(3-Bromo-propyl)-benzoic acid ethyl ester

: 70108-04-2
4-<3-methanesulfonamido>propyl>benzoic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) NaH / 1.) benzene, DMF, 90 deg C, 2.5 h, 2.) benzene, DMF, 90 deg C, 28 h

2: NaH / benzene; dimethylformamide / 1 h / 60 °C

3: NaOH / methanol; H₂O / 2 h / Heating

With sodium hydroxide; sodium hydride; In methanol; water; N,N-dimethyl-formamide; benzene;
DOI:10.1021/jm00357a005