1-Methylcyclohexan-1-amine hydrochloride

Base Information

• Chemical Name: 1-Methylcyclohexan-1-amine hydrochloride
• CAS No.: 89854-70-6
• Molecular Formula: C7H16ClN
• Molecular Weight: 149.664
• Hs Code.: 2921300090
• European Community (EC) Number: 695-427-8
• DSSTox Substance ID: DTXSID70237922
• Mol file: 89854-70-6.mol

Synonyms:89854-70-6;1-methylcyclohexan-1-amine hydrochloride;1-Methylcyclohexanamine hydrochloride;1-Methylcyclohexylamine hydrochloride;1-methyl-cyclohexylamine hydrochloride;(1-Methylcyclohexyl)amine hydrochloride;1-methylcyclohexan-1-amine;hydrochloride;Cyclohexylamine, 1-methyl-, hydrochloride;1-Methyl-1-aminocyclohexane hydrochloride;1-Amino-1-methylcyclohexane hydrochloride;SCHEMBL56809;DTXSID70237922;VNLCPYWZTADPJD-UHFFFAOYSA-N;1-Methylcyclohexanaminehydrochloride;MFCD01735171;1-methylcyclohexaneamine hydrochloride;AKOS008110486;1-METHYLCYCLOHEXAN-1-AMINE HCL;SB39704;BP-21245;LS-57645;CS-0037804;EN300-43251;1-Amino-1-methylcyclohexane hydrochloride, 95%;Z752370810

Chemical Property of 1-Methylcyclohexan-1-amine hydrochloride

Chemical Property:

• Vapor Pressure: 4.26mmHg at 25°C
• Melting Point: 178-183°C
• Boiling Point: 148.3°Cat760mmHg
• Flash Point: 27.5°C
• PSA: 26.02000
• Density: g/cm³
• LogP: 3.17020
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 149.0971272
• Heavy Atom Count: 9
• Complexity: 72.5

Purity/Quality:

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

1-Methylcyclohexan-1-amineHydrochloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

Useful:

• Canonical SMILES: CC1(CCCCC1)N.Cl

Technology Process of 1-Methylcyclohexan-1-amine hydrochloride

There total 5 articles about 1-Methylcyclohexan-1-amine 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: 98.0%

N-(1-methylcyclohexyl)-tert-butanesulfinamide (1133989-31-7) → tert-butylsulfinyl chloride (31562-43-3) + 1-methylcyclohexanamine hydrochloride (89854-70-6)

Guidance literature:

With hydrogenchloride; In cyclopentyl methyl ether; at 5 - 23 ℃; Inert atmosphere;

DOI:10.1021/jo9001883

Reference yield: 86.0%

methyl cyclohexane (82166-21-0) → 1-methylcyclohexanamine hydrochloride (89854-70-6)

Guidance literature:

methyl cyclohexane; With Benzophenone imine; 1-methoxy-3,3-dimethyl-1,2-benziodoxole; at 75 ℃; for 24h; Inert atmosphere;

With hydrogenchloride; In methanol; water; at 20 ℃; for 24h; Inert atmosphere;

DOI:10.1002/chem.202102627

Reference yield:

1-azido-1-methylcyclohexane (22530-83-2) → 1-methylcyclohexanamine hydrochloride (89854-70-6)

Guidance literature:

With hydrogenchloride; triethyl phosphite; In benzene; Yield given; 1.) room temp., overnight, 2.) room temp., overnight;

DOI:10.1055/s-1987-27978

upstream raw materials:

1-azido-1-methylcyclohexane

1-chloro-1-methylcyclohexane

N-(1-methylcyclohexyl)-tert-butanesulfinamide

methyl cyclohexane

Downstream raw materials:

N₂-(2-methoxy-4-(1-methyl-1H-pyrazol-4-yl)phenyl)-N₈-(1-methylcyclohexyl)pyrido[3,4-d]pyrimidine-2,8-diamine

3-(2-chloro-4-{[5-(2-hydroxyethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]amino}phenoxy)-N-(1-methylcyclohexyl)benzamide

Refernces

• 1、 Wakayama, Masakazu,Ellman, Jonathan A.. "Recycling the tert-butanesulfinyl group in the synthesis of amines using tert-butanesulfinamide". experimental part. p. 2646 - 2650. Retrieved 2009/08/15.
• 2、 Koziara, Anna,Osowska-Pacewicka, Krystyna,Zawadzki, Stefan,Zwierzak, Andrzej. "A Simple, One-Pot Transformation of t-Alkyl Chlorides Into (t-Alkyl)amines". . p. 487 - 489. Retrieved 2007/10/02.