trans-4-(1,1-Dimethylethylsulfonamido)cyclohexanecarboxylic acid

Base Information

Chemical Name:trans-4-(1,1-Dimethylethylsulfonamido)cyclohexanecarboxylic acid
CAS No.:342578-12-5
Molecular Formula:C11H21NO4S
Molecular Weight:263.358
Hs Code.:2935009090
DSSTox Substance ID:DTXSID40474286
Nikkaji Number:J2.749.562A
Mol file:342578-12-5.mol

Synonyms:342578-12-5;trans-4-(1,1-Dimethylethylsulfonamido)cyclohexanecarboxylic acid;(1R,4R)-4-(1,1-DIMETHYLETHYLSULFONAMIDO)-CYCLOHEXANECARBOXYLIC ACID;4-(tert-butylsulfonylamino)cyclohexane-1-carboxylic Acid;YGQHGJMTFCIGEP-UHFFFAOYSA-N;(1r,4r)-4-(1,1-dimethylethylsulfonamido)cyclohexanecarboxylicacid;SCHEMBL90846;SCHEMBL594952;SCHEMBL2884413;SCHEMBL10133978;SCHEMBL12955762;DTXSID40474286;YGQHGJMTFCIGEP-DTORHVGOSA-N;YGQHGJMTFCIGEP-KYZUINATSA-N;trans-4-(1,1-Dimethylethylsulfonamido)cyclohexanecarboxylicacid;AKOS013000005;AKOS016004965;A6028;FT-0682351;4-tert-butylsulfonylaminocyclohexanecarboxylic acid;cis-4-tert-butylsulfonylaminocyclohexanecarboxylic acid;cis-4-tert-butylsulfonylaminocyclohexane-carboxylic acid;4-(2-Methyl-propane-2-sulfonylamino)-cyclohexanecarboxylic acid;4-[(2-Methylpropane-2-sulfonyl)amino]cyclohexane-1-carboxylic acid;trans-4-(2-methylpropane-2-sulfonylamino)cyclohexane Carboxylic Acid

Suppliers and Price of trans-4-(1,1-Dimethylethylsulfonamido)cyclohexanecarboxylic 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

TRC
trans-4-(1,1-Dimethylethylsulfonamido)cyclohexanecarboxylicAcid
1g
$ 1315.00

Matrix Scientific
(1R,4R)-4-(1,1-Dimethylethylsulfonamido)-cyclohexanecarboxylic acid 95%
1g
$ 1396.00

Crysdot
trans-4-(1,1-Dimethylethylsulfonamido)cyclohexanecarboxylicacid 95+%
1g
$ 535.00

Chemenu
trans-4-(1,1-Dimethylethylsulfonamido)cyclohexanecarboxylicacid 95%
1g
$ 505.00

American Custom Chemicals Corporation
(1R,4R)-4-(1,1-DIMETHYLETHYLSULFONAMIDO)-CYCLOHEXANECARBOXYLIC ACID 95.00%
1G
$ 1124.55

AK Scientific
trans-4-(1,1-Dimethylethylsulfonamido)cyclohexanecarboxylicacid
1g
$ 1934.00

Total 10 raw suppliers

Chemical Property of trans-4-(1,1-Dimethylethylsulfonamido)cyclohexanecarboxylic acid

Chemical Property:

Boiling Point:418.9±55.0 °C(Predicted)
PKA:4?+-.0.10(Predicted)
PSA：91.85000
Density:1.22±0.1 g/cm3(Predicted)
LogP:2.81940
Solubility.:DCM, Methanol
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:263.11912932
Heavy Atom Count:17
Complexity:369

Purity/Quality:

97% ^*data from raw suppliers

trans-4-(1,1-Dimethylethylsulfonamido)cyclohexanecarboxylicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)S(=O)(=O)NC1CCC(CC1)C(=O)O
Uses trans-4-(1,1-Dimethylethylsulfonamido)cyclohexanecarboxylic Acid is an intermediate in the synthesis of Velneprit (V115000), which is an optimized synthetic neuropeptide Y (NPY) Y5 receptor antagonist used in the oral treatment of obesity.

Technology Process of trans-4-(1,1-Dimethylethylsulfonamido)cyclohexanecarboxylic acid

There total 7 articles about trans-4-(1,1-Dimethylethylsulfonamido)cyclohexanecarboxylic 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:

: 4-tert-butylsulfinamidocyclohexanecarboxylic acid

: 342578-12-5
C₁₁H₂₁NO₄S

Guidance literature:: C₁₁H₂₁NO₃S; With dihydrogen peroxide; sodium tungstate; In water; at 32 - 52 ℃; for 2.51667 - 2.98333h;

With sulfuric acid; In water; at 2 - 45 ℃; for 0.5 - 2h; pH=3; Product distribution / selectivity;

Reference yield:

: C₁₂H₂₃NO₄S

: 342578-12-5
C₁₁H₂₁NO₄S

Guidance literature:: Multi-step reaction with 2 steps

1: sodium methylate / toluene; methanol / Inert atmosphere

2: water / Inert atmosphere

With water; sodium methylate; In methanol; toluene;
DOI:10.1021/acs.oprd.5b00023

Reference yield:

: cis-4-amino-cyclohexanecarboxylic acid,methyl ester hydrochloride

: 342578-12-5
C₁₁H₂₁NO₄S

Guidance literature:: Multi-step reaction with 4 steps

1: triethylamine / N,N-dimethyl-formamide / Inert atmosphere

2: ammonium molybdate tetrahydrate; dihydrogen peroxide / water / Inert atmosphere

3: sodium methylate / toluene; methanol / Inert atmosphere

4: water / Inert atmosphere

With ammonium molybdate tetrahydrate; water; dihydrogen peroxide; sodium methylate; triethylamine; In methanol; water; N,N-dimethyl-formamide; toluene;
DOI:10.1021/acs.oprd.5b00023