trans-4-Methylcyclohexanamine hydrochloride

Base Information

• Chemical Name: trans-4-Methylcyclohexanamine hydrochloride
• CAS No.: 33483-65-7
• Molecular Formula: C7H15N^.HCl
• Molecular Weight: 149.664
• Hs Code.: 29213000
• European Community (EC) Number: 608-873-5,678-615-4,642-231-5
• UNII: HP5VM29VB9,39KR6PT2LY
• DSSTox Substance ID: DTXSID60955108
• Mol file: 33483-65-7.mol

Synonyms:33483-65-7;33483-66-8;trans-4-Methylcyclohexanamine hydrochloride;cis-4-methylcyclohexanamine hydrochloride;trans-4-Methylcyclohexylamine hydrochloride;100959-19-1;4-Methylcyclohexylamine Hydrochloride;4-Methylcyclohexanamine hydrochloride;cis-4-Methyl-cyclohexylamine hydrochloride;cis-4-Methyl-cyclohexylamine HCl;4-Methylcyclohexan-1-Amine Hydrochloride;cis-4-Methylcyclohexylamine Hydrochloride;trans-4-methyl-cyclohexylamine hcl;Cyclohexanamine, 4-methyl-, hydrochloride, trans-;4-methylcyclohexan-1-amine;hydrochloride;trans-4-Methyl-cyclohexylamine hydrochloride;trans-4-methylcyclohexylamine hcl;Cis-4-methyl-cyclohexylamine, HCl;Cyclohexanamine, 4-methyl-, hydrochloride, cis-;trans-4-Methylcyclohexylamine, HCl;Cyclohexanamine, 4-methyl-, hydrochloride (1:1);MFCD07368256;MFCD09991703;(1s,4s)-4-methylcyclohexanamine hydrochloride;Hexahydro-p-toluidine Hydrochloride;4-Methylcyclohexanaminehydrochloride;4-MethylcyclohexylamineHydrochloride;(TRANS)-4-METHYL CYCLOHEXYL AMINE HYDROCHLORIDE;334833-65-7;(Trans-4-methylcyclohexylaminehydrochloride);cis-4-methylcyclohexan-1-amine hydrochloride;4-Methylcyclohexanamine HCl;39KR6PT2LY;HP5VM29VB9;cis-Methylcyclohexylamine HCl;SCHEMBL1076485;SCHEMBL1241497;SCHEMBL1334305;DTXSID60955108;GIRKJSRZELQHDX-UHFFFAOYSA-N;4-methylcyclohexylammonium chloride;MFCD00051985;AKOS015844224;AKOS015894277;AKOS015916057;4-Methyl-cyclohexylamine;CIS-4-METHYL-CYCLOHEXYLAMINEHCL;CS-W003376;DS-6456;DS-6536;SB36662;AMY202003228;AS-10883;AS-67337;SY022606;SY235531;4-Methylcyclohexylamine hydrochloride, cis-;4-Methylcyclohexylamine hydrochloride, trans-;A5966;CS-0170852;CS-0439724;FT-0619077;FT-0639102;FT-0656976;M0957;(1r,4r)-4-methylcyclohexanamine hydrochloride;EN300-72659;Trans-4-methyl cyclohexyl amine Hydrochloride;trans-4-methylcyclohexan-1-amine hydrochloride;D91414;EN300-412692;(1S,4S)-4-methylcyclohexan-1-aminehydrochloride;Cyclohexylamine, 4-methyl-, hydrochloride, cis-;EN300-7386067;(1r,4r)-4-methylcyclohexan-1-amine hydrochloride;4-Methylcyclohexylamine hydrochloride, cis + trans;A821794;Cyclohexylamine, 4-methyl-, hydrochloride, trans-;4-Methylcyclohexan-1-amine--hydrogen chloride (1/1);Cyclohexanamine, 4-methyl-, hydrochloride (1:1), cis-;F0001-0986;Z1150306734;(1S,4S)-4-METHYLCYCLOHEXAN-1-AMINE HYDROCHLORIDE;Cyclohexanamine, 4-methyl-, hydrochloride (1:1), trans-

Chemical Property of trans-4-Methylcyclohexanamine hydrochloride

Chemical Property:

• Vapor Pressure: 0.347mmHg at 25°C
• Melting Point: 260 °C
• Boiling Point: 195.9 °C at 760 mmHg
• Flash Point: 72.3 °C
• PSA: 26.02000
• LogP: 3.02610
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 149.0971272
• Heavy Atom Count: 9
• Complexity: 62.8

Purity/Quality:

99% ^*data from raw suppliers

cis-4-MethylcyclohexanamineHydrochloride ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC(CC1)N.Cl

Technology Process of trans-4-Methylcyclohexanamine hydrochloride

There total 35 articles about trans-4-Methylcyclohexanamine hydrochloride 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: 100.0%

[Ru(η5-1-nitro-2-trifluoromethylcyclohexadienyl)(η5-cyclopentadiene)] → 2-nitrobenzotrifluoride (384-22-5)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In [D₃]acetonitrile; at 20 ℃; for 24h; Schlenk technique;

DOI:10.1039/c7cc05415g

Reference yield: 100.0%

dibromodifluoromethane (75-61-6) + 2-Chloronitrobenzene (88-73-3) → 2-nitrobenzotrifluoride (384-22-5)

Guidance literature:

With ISOPROPYLAMIDE; copper; at 100 ℃; for 16h;

DOI:10.1016/S0022-1139(00)85007-1

Reference yield: 94.0%

dibromodifluoromethane (75-61-6) + o-nitroiodobenzene (609-73-4) → 1-nitro-2-(2-nitrophenyl)benzene (2436-96-6) + 2-nitrobenzotrifluoride (384-22-5)

Guidance literature:

With ISOPROPYLAMIDE; copper; at 100 ℃; for 8h;

DOI:10.1016/S0022-1139(00)85007-1

upstream raw materials:

trans-4-methylcyclohexylamine hydrochloride

ethyl nitrite

ethanol

2-nitro-3-(trifluoromethyl)aniline

Downstream raw materials:

N-(4-methylcyclohexyl)formamide

N-(trans-4-methylcyclohexyl)-2-quinoxalinecarboxamide

C₂₅H₂₈N₈O

1-(6-((9-((1r,4r)-4-methylcyclohexyl)-9H-pyrido[4′,3′:4,5]pyrrolo[2,3-d]pyrimidin-2-yl)amino)pyridin-3-yl)piperidin-4-one

Refernces

• 1、 Pike, Jack A.,Walton, James W.. "Nucleophilic trifluoromethylation of electron-deficient arenes". . p. 9858 - 9861. Retrieved 2017.
• 2、 Akiyama, Takahiko,Ishikawa, Taisuke,Kamiyama, Nanami,Uchikura, Tatsuhiro. "Catalytic trifluoromethylation of iodoarenes by use of 2-trifluoromethylated benzimidazoline as trifluoromethylating reagent". supporting information. p. 2442 - 2447. Retrieved 2020/11/07.
• 3、 Miyagawa, Masamichi,Ishikawa, Taisuke,Shinkai, Kota,Akiyama, Takahiko. "Ligand-free trifluoromethylation of iodoarenes by use of 2-Aryl-2-trifluoromethylbenzimidazoline as new trifluoromethylating reagent". supporting information. p. 29 - 31. Retrieved 2019/01/04.