4-(Azaniumylmethyl)cyclohexane-1-carboxylate

Base Information

• Chemical Name: 4-(Azaniumylmethyl)cyclohexane-1-carboxylate
• CAS No.: 701-54-2
• Molecular Formula: C₈H₁₅NO₂
• Molecular Weight: 157.213
• Hs Code.: 2922499990
• Mol file: 701-54-2.mol

Synonyms:4-(azaniumylmethyl)cyclohexane-1-carboxylate;STL454349;4-(ammoniomethyl)cyclohexanecarboxylate;4-(ammoniomethyl)-1-cyclohexanecarboxylate;A804343

Chemical Property of 4-(Azaniumylmethyl)cyclohexane-1-carboxylate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 233 °C
• Refractive Index: 1.497
• Boiling Point: 300.2 °C at 760 mmHg
• PKA: 4.65±0.10(Predicted)
• Flash Point: 135.4 °C
• PSA: 63.32000
• Density: 1.095 g/cm³
• LogP: 1.53640
• Storage Temp.: Refrigerator
• Solubility.: Water (Sparingly)
• Water Solubility.: 1g/6ml
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 157.110278721
• Heavy Atom Count: 11
• Complexity: 134

Purity/Quality:

4-(AMINOMETHYL)-CYCLOHEXANECARBOXYLIC ACID ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:
• Hazard Codes: Xi:Irritant
• Statements: R36/37/38:
• Safety Statements: S26:; S37/39:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CC(CCC1C[NH3+])C(=O)[O-]
• Uses: Labelled Tranexamic Acid Tranexamic acid (T714505) impurity.

Technology Process of 4-(Azaniumylmethyl)cyclohexane-1-carboxylate

There total 1 articles about 4-(Azaniumylmethyl)cyclohexane-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:

→ 4-aminomethyl-cyclohexanecarboxylic acid (1197-17-7,1197-18-8,701-54-2)

Guidance literature:

Reference yield: 100.0%

4-aminomethyl-cyclohexanecarboxylic acid (1197-17-7,1197-18-8,701-54-2) → 4-(aminomethyl)-cyclohexanemethanol (1074-62-0)

Guidance literature:

4-aminomethyl-cyclohexanecarboxylic acid; With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 3h;

With water; In tetrahydrofuran; at 0 ℃;

Reference yield: 100.0%

methanol (67-56-1) + 4-aminomethyl-cyclohexanecarboxylic acid (1197-17-7,1197-18-8,701-54-2) → 4-aminomethylcyclohexanecarboxylic acid methyl ester hydrochloride salt (54640-02-7,29275-88-5)

Guidance literature:

With thionyl chloride; at -10 - 20 ℃; for 20h;

Downstream raw materials:

4-(5-benzyl-6-thioxo-[1,3,5]thiadiazinan-3-ylmethyl)-cyclohexanecarboxylic acid

4-aminomethyl-cyclohexanecarboxylic acid methyl ester

methyl 3-propionate hydrochloride

4-((2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepine-7-sulfonamido)methyl)cyclohexanecarboxylic acid

Refernces