N-((1R,2R)-2-aminocyclohexyl)-4-methylbenzenesulfonamide

Base Information

• Chemical Name: N-((1R,2R)-2-aminocyclohexyl)-4-methylbenzenesulfonamide
• CAS No.: 174291-96-4
• Molecular Formula: C13H20N2O2S
• Molecular Weight: 268.38
• European Community (EC) Number: 689-254-7
• Nikkaji Number: J781.869F
• Wikidata: Q76415762
• Mol file: 174291-96-4.mol

Synonyms:174291-96-4;N-((1R,2R)-2-aminocyclohexyl)-4-methylbenzenesulfonamide;58825-94-8;trans-N-p-tolylsulfonyl-1,2-diaminocyclohexane;(1R,2R)-(-)-N-p-Tosyl-1,2-cyclohexanediamine;N-[(1R,2R)-2-AMINOCYCLOHEXYL]-4-METHYLBENZENESULFONAMIDE;(1R,2R)-(+)-N-(4-TOLUENESULPHONYL)-1,2-DIAMINOCYCLOHEXANE;(1R,2R)-()-N-p-Tosyl-1,2-cyclohexanediamine;N-((trans-2-aminocyclohexyl)-4-methylbenzenesulfonamide;SCHEMBL987578;trans-n-(2-amino-cyclohexyl)-4-methyl-benzenesulfonamide;ZGA29196;MFCD09842716;AKOS026849624;AS-65868;CS-0093711;(1R)-N-Tosylcyclohexane-1beta,2alpha-diamine;A13018;n-(p-toluenesulfonyl)-(r,r)-1.2-diaminocyclohexane;N-(p-toluenesulfonyl)-(R,R)-1,2-diaminocyclohexane;(1R,2R)-(-)-N-p-Tosyl-1,2-cyclohexanediamine, 97%;(1R,2R)-(-)-N-(4-Toluenesulphonyl)-1,2-diaminocyclohexane;N-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzene-1-sulfonamide

Chemical Property of N-((1R,2R)-2-aminocyclohexyl)-4-methylbenzenesulfonamide

Chemical Property:

• Melting Point: 105-109°C
• Boiling Point: 417.4±55.0 °C(Predicted)
• PKA: 11.69±0.40(Predicted)
• PSA: 80.57000
• Density: 1.23±0.1 g/cm3(Predicted)
• LogP: 3.71520
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 268.12454906
• Heavy Atom Count: 18
• Complexity: 356

Purity/Quality:

97% ^*data from raw suppliers

Benzenesulfonamide,N-[(1R,2R)-2-aminocyclohexyl]-4-methyl- 96% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36/37/38

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2CCCCC2N
• Isomeric SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CCCC[C@H]2N
• Uses: Chiral ligand for asymmetric transfer hydrogen.

Technology Process of N-((1R,2R)-2-aminocyclohexyl)-4-methylbenzenesulfonamide

There total 14 articles about N-((1R,2R)-2-aminocyclohexyl)-4-methylbenzenesulfonamide 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: 99.0%

p-toluenesulfonyl chloride (98-59-9) + (1R,2R)-1,2-diaminocyclohexane tartrate (32044-22-7,39961-95-0) → (1R,2R)-(-)-N-p-tosyl-1,2-cyclohexanediamine (174291-96-4,58825-94-8)

Guidance literature:

With sodium hydroxide; triethylamine; In dichloromethane; at 20 ℃; for 12h;

DOI:10.1016/S0957-4166(01)00292-0

Reference yield: 98.0%

p-toluenesulfonyl chloride (98-59-9) + (R,R)-1,2-diaminocyclohexane*(+)-tartric acid (32044-22-7,39961-95-0) → (1R,2R)-(-)-N-p-tosyl-1,2-cyclohexanediamine (174291-96-4,58825-94-8)

Guidance literature:

(R,R)-1,2-diaminocyclohexane*(+)-tartric acid; With sodium hydroxide;

p-toluenesulfonyl chloride;

DOI:10.1016/j.jorganchem.2018.05.005

Reference yield: 90.0%

(1R,2R)-1,2-diaminocyclohexane (20439-47-8) + p-toluenesulfonyl chloride (98-59-9) → (1R,2R)-(-)-N-p-tosyl-1,2-cyclohexanediamine (174291-96-4,58825-94-8)

Guidance literature:

In dichloromethane; at 0 ℃;

DOI:10.3390/molecules15042551

upstream raw materials:

N-(2-azidocyclohexyl)-4-methyl-benzenesulfonamide

(1R,2R)-1,2-diaminocyclohexane

p-toluenesulfonyl chloride

(1R,2R)-1,2-diaminocyclohexane tartrate

Downstream raw materials:

(R,R)-1,2-bis(tosylamino)cyclohexane

[(1R,2R)-2-(Toluene-4-sulfonylamino)-cyclohexyl]-carbamic acid tert-butyl ester

(1S,4R,1'R,2'R)-N-{trans-2'-[7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-ylmethylsulfonamino]cyclohexyl}-4''-methylbenzenesulfonamide

(S)-2-[(1R,2R)-2-(Toluene-4-sulfonylamino)-cyclohexylcarbamoyl]-pyrrolidine-1-carboxylic acid tert-butyl ester

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