1-Amino-3-methylcyclohexanecarboxylic acid

Base Information

• Chemical Name: 1-Amino-3-methylcyclohexanecarboxylic acid
• CAS No.: 55550-84-0
• Molecular Formula: C₈H₁₅NO₂
• Molecular Weight: 157.213
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID10388644
• Nikkaji Number: J412.601G
• Mol file: 55550-84-0.mol

Synonyms:1-Amino-3-methylcyclohexanecarboxylic acid;55550-84-0;1-amino-3-methylcyclohexane-1-carboxylic acid;SCHEMBL2904567;NIOSH/GU8398500;DTXSID10388644;MFCD01745645;AKOS000173982;AKOS016051431;CB 1638;BS-12242;LS-56610;1-Amino-3-methyl cyclohexanecarboxylic acid;1-amino-3-methylcyclohexane carboxylic acid;CS-0251115;FT-0690966;GU83985000;Cyclohexanecarboxylic acid, 1-amino-3-methyl-;EN300-53603;1-Amino-3-methylcyclohexanecarboxylic acid, AldrichCPR;Z317024768

Chemical Property of 1-Amino-3-methylcyclohexanecarboxylic acid

Chemical Property:

• Vapor Pressure: 0.00131mmHg at 25°C
• Melting Point: 330℃
• Refractive Index: 1.491
• Boiling Point: 276.4 °C at 760 mmHg
• Flash Point: 121 °C
• PSA: 63.32000
• Density: 1.086 g/cm³
• LogP: 1.67890
• Storage Temp.: 2-8°C
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 157.110278721
• Heavy Atom Count: 11
• Complexity: 170

Purity/Quality:

98%Min ^*data from raw suppliers

1-amino-3-methylcyclohexane-1-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCC(C1)(C(=O)O)N

Technology Process of 1-Amino-3-methylcyclohexanecarboxylic acid

There total 11 articles about 1-Amino-3-methylcyclohexanecarboxylic 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:

(5R,7R)-7-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decane-1,3-dicarboxylic acid di-tert-butyl ester → 1-Amino-cis-3-methyl-cyclohexan-carbonsaeure (32958-43-3,32958-44-4,55550-84-0)

Guidance literature:

(5R,7R)-7-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decane-1,3-dicarboxylic acid di-tert-butyl ester; With lithium hydroxide; In methanol; water; at 20 ℃; for 120h;

With hydrogenchloride; In methanol; water;

DOI:10.1016/j.tet.2015.02.075

Reference yield:

C19H30N2O6 → 1-amino-3-methylcyclohexanecarboxylic acid (32958-43-3,32958-44-4,55550-84-0)

Guidance literature:

With water; potassium hydroxide; In tetrahydrofuran; at 20 ℃;

DOI:10.3998/ark.5550190.0012.221

Reference yield:

→ 1-amino-3-methylcyclohexanecarboxylic acid (32958-43-3,32958-44-4,55550-84-0)

Guidance literature:

With sulfuric acid; at 140 ℃;

upstream raw materials:

potassium cyanide

3-Methylcyclohexanone

7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

1-hydroxy-3-methyl-cyclohexanecarbonitrile

Refernces

• 1、 Rivero, Ignacio A.,Reynoso-Soto, Edgar A.,Ochoa-Teran, Adrian. "Microwave-assisted synthesis of cycloalkanespirohydantoins and piperidinespirohydantoins as precursors of restricted α-amino acids". experimental part. p. 260 - 271. Retrieved 2011/05/13.