1-Azaniumylcyclohexane-1-carboxylate

Base Information

• Chemical Name: 1-Azaniumylcyclohexane-1-carboxylate
• CAS No.: 2756-85-6
• Molecular Formula: C7H13NO2
• Molecular Weight: 143.186
• Hs Code.: 29224999
• Mol file: 2756-85-6.mol

Synonyms:1-azaniumylcyclohexane-1-carboxylate;A819121;1-azaniumylcyclohexanecarboxylate

Chemical Property of 1-Azaniumylcyclohexane-1-carboxylate

Chemical Property:

• Appearance/Colour: White powder
• Vapor Pressure: 0.000812mmHg at 25°C
• Melting Point: >300 °C(lit.)
• Refractive Index: 1.507
• Boiling Point: 272.3 °C at 760 mmHg
• PKA: pK1: 2.65(+1);pK2: 10.03(0) (25°C)
• Flash Point: 118.5 °C
• PSA: 63.32000
• Density: 1.148 g/cm³
• LogP: 1.43290
• Storage Temp.: Store at RT.
• Sensitive.: Hygroscopic
• Water Solubility.: almost transparency
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 143.094628657
• Heavy Atom Count: 10
• Complexity: 133

Purity/Quality:

98% ^*data from raw suppliers

α-AminocyclohexanecarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 22-24/25-37/39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CCC(CC1)(C(=O)[O-])[NH3+]
• Uses: α-Aminocyclohexanecarboxylic Acid enhances the stability of highly regular β-helical motifs.

Technology Process of 1-Azaniumylcyclohexane-1-carboxylate

There total 16 articles about 1-Azaniumylcyclohexane-1-carboxylate 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: 96.0%

benzyl 1-azidocyclohexane-1-carboxylate → 1-aminocyclohexane carboxylic acid (2756-85-6)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 3h;

DOI:10.1016/j.tetlet.2015.01.041

Reference yield: 82.0%

→ 1-aminocyclohexane carboxylic acid (2756-85-6)

Guidance literature:

Reference yield: 75.0%

spiro(imidazolidine-4,1'-cyclohexane)-2,5-dione (702-62-5) → 1-aminocyclohexane carboxylic acid (2756-85-6)

Guidance literature:

With barium hydroxide octahydrate; water; In water; at 160 ℃; for 2h; Autoclave;

upstream raw materials:

N-1-Cyanocyclohexyldiphenylphosphinamid

1-hydroxy-1-cyclohexanecarbonitrile

1-{[(benzyloxy)carbonyl]amino}cyclohexanecarboxylic acid

1-amino-1-cyanocyclohexane

Downstream raw materials:

1-{[(benzyloxy)carbonyl]amino}cyclohexanecarboxylic acid

1-(N'-benzoyl-thioureido)-cyclohexanecarboxylic acid

1-amino-cyclohexanecarboxylic acid methyl ester hydrochloride

4'-(3-hydroxy-5-hydroxymethyl-2-methylpyridin-4-yl)-6',8'-dioxo-7'-phenylspiro(cyclohexane-1,2'-<3',7'>diazabicyclo-<3.3.0>octane)

Refernces

• 1、 Ishihara, Kotaro,Hamamoto, Hiromi,Matsugi, Masato,Shioiri, Takayuki. "SN2 displacement at the quaternary carbon center: A novel entry to the synthesis of α,α-disubstituted α-amino acids This Letter is dedicated to the late Professor Harry Wasserman, a great chemist as well as a splendid artist". . p. 3169 - 3171. Retrieved 2015/05/27.
• 2、 Stoyanov, Neyko,Marinov, Marin. "Two methods for spirothiohydantoin synthesis". . p. 680 - 685,6. Retrieved 2020/08/24.