3-Methylcyclohexylamine

Base Information

• Chemical Name: 3-Methylcyclohexylamine
• CAS No.: 6850-35-7
• Molecular Formula: C7H15N
• Molecular Weight: 113.203
• Hs Code.: 2921300090
• European Community (EC) Number: 229-940-1
• DSSTox Substance ID: DTXSID10922926
• Nikkaji Number: J236.358E
• Mol file: 6850-35-7.mol

Synonyms:3-Methylcyclohexylamine;6850-35-7;3-Methylcyclohexanamine;3-methylcyclohexan-1-amine;(3-methylcyclohexyl)amine;1-Amino-3-methylcyclohexane;3-methyl-cyclohexylamine;Cyclohexanamine, 3-methyl-;3-Methylcyclohexylamine,c&t;Cyclohexanamine, 3-methyl-, trans-;EINECS 229-940-1;Cyclohexanamine, 3-methyl-, (1R-cis)-;64869-65-4;1193-17-5;MFCD00001494;3-methyl cyclohexanamine;3-Methylcyclohexanamine #;Cyclohexylamine, 3-methyl-;SCHEMBL42863;trans-3-methylcyclohexylamine;DTXSID10922926;(Cis/trans)3-methylcyclohexylamine;3-methylcyclohexylamine, AldrichCPR;BCP23381;CS-D0430;3-Methylcyclohexylamine, (cis+trans);(1R,3S)-3-methylcyclohexan-1-amine;AKOS000133720;AB86142;AB86173;AB86397;SB48047;BS-12815;AM20070507;BB 0254488;FT-0681339;FT-0770433;FT-0773904;M2105;EN300-33155;A847779

Chemical Property of 3-Methylcyclohexylamine

Chemical Property:

• Vapor Pressure: 4.1mmHg at 25°C
• Melting Point: -8.5°C (estimate)
• Refractive Index: 1.448
• Boiling Point: 149 °C at 760 mmHg
• PKA: 10.61±0.70(Predicted)
• Flash Point: 22.2 °C
• PSA: 26.02000
• Density: 0.844 g/cm³
• LogP: 2.22410
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 113.120449483
• Heavy Atom Count: 8
• Complexity: 70.8

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Methylcyclohexylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,C
• Hazard Codes: F,C
• Statements: 10-22-34

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCC(C1)N

Technology Process of 3-Methylcyclohexylamine

There total 19 articles about 3-Methylcyclohexylamine 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: 90.0%

N-(3-methyl-cyclohexyl)-p-phenetidine → 3-methylcyclohexan-1-amine (6850-35-7)

Guidance literature:

With sulfuric acid; water; periodic acid; In acetonitrile; at 20 ℃; for 12h;

DOI:10.1055/s-2007-984877

Reference yield: 84.0%

→ 3-methylcyclohexan-1-amine (6850-35-7)

Guidance literature:

With ammonium formate; In methanol; at 80 ℃; for 0.166667h; Inert atmosphere;

With formic acid; C₂₉H₃₂ClIrNO; triethylamine; In methanol; at 80 ℃;

Reference yield: 62.0%

3-methyl-cyclohexanone oxime (4701-95-5) → 3-methylcyclohexan-1-amine (6850-35-7)

Guidance literature:

With sodium; In ethanol; Heating;

upstream raw materials:

3-methylcyclohexen-2-one

ammonium formate

1-amino-3-methylbenzene

3-methyl-cyclohexanone oxime

Downstream raw materials:

N-(3-methyl-cyclohexyl)-N'-phenyl-thiourea

1-(2-Chloro-ethyl)-3-(3-methyl-cyclohexyl)-urea

1-(2-chloroethyl)-1-nitroso-3-(3-methylcyclohexyl)urea

C₁₅H₂₃N₃O₃S

Refernces

• 1、 Zhang, Sishi,Xu, Jie,Cheng, Hongmei,Zang, Cuicui,Sun, Bin,Jiang, Heyan,Bian, Fengxia. "Highly efficient one-pot multi-directional selective hydrogenation and N-alkylation catalyzed by Ru/LDH under mild conditions". supporting information. . Retrieved 2020/03/30.
• 2、 Matzel, Philipp,Krautschick, Lukas,H?hne, Matthias. "Photometric Characterization of the Reductive Amination Scope of the Imine Reductases from Streptomyces tsukubaensis and Streptomyces ipomoeae". . p. 2022 - 2027. Retrieved 2017/10/07.