4-Hydroxycyclohexane-1-carboxamide

Base Information

• Chemical Name: 4-Hydroxycyclohexane-1-carboxamide
• CAS No.: 1221724-30-6
• Molecular Formula: C₇H₁₃NO₂
• Molecular Weight: 143.186
• European Community (EC) Number: 836-617-4,837-048-4
• Mol file: 1221724-30-6.mol

Synonyms:4-hydroxycyclohexane-1-carboxamide;116941-10-7;trans-4-Hydroxycyclohexanecarboxamide;1221724-30-6;cis-4-Hydroxycyclohexanecarboxamide;Cyclohexanecarboxamide, 4-hydroxy-, trans- (9CI);19556-97-9;(1s,4s)-4-hydroxycyclohexane-1-carboxamide;Cyclohexanecarboxamide, 4-hydroxy-, trans-;SCHEMBL481567;SCHEMBL482065;4-Hydroxycyclohexanecarboxamide;SCHEMBL14738266;SCHEMBL20807521;UCUHQXIAXJMZRI-IZLXSQMJSA-N;AKOS006350696;AKOS006360528;AKOS026675714;SB84977;trans-4-Hydroxycyclohexane-1-carboxamide;TS-01864;EN300-60232;P18990;trans-4-hydroxycyclohexanecarboxylic acid amide;EN300-7262720;A1-00396;Z935127666

Chemical Property of 4-Hydroxycyclohexane-1-carboxamide

Chemical Property:

• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 143.094628657
• Heavy Atom Count: 10
• Complexity: 128

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC(CCC1C(=O)N)O

Technology Process of 4-Hydroxycyclohexane-1-carboxamide

There total 3 articles about 4-Hydroxycyclohexane-1-carboxamide 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: 53.0%

4-hydroxycyclohexyl carboxylic acid ethyl ester (3618-04-0,75877-66-6,17159-80-7) → 4-hydroxycyclohexane-1-carboxamide (1221724-30-6,116941-10-7)

Guidance literature:

With methanol; ammonium hydroxide; for 960h; Ambient temperature;

Reference yield:

4-hydroxycyclohexanecarboxylic acid (3685-22-1,3685-26-5,17419-81-7) → 4-hydroxycyclohexane-1-carboxamide (1221724-30-6,116941-10-7)

Guidance literature:

With ammonia; at 145 ℃; for 0.5h; Temperature;

Reference yield:

Ethyl 4-hydroxybenzoate (120-47-8) → 4-hydroxycyclohexane-1-carboxamide (1221724-30-6,116941-10-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 61 percent / H₂ / Raney-Nickel / ethanol / 18 h / 145 - 150 °C / 83256.7 Torr

2: 53 percent / 8N NH₃/MeOH / 960 h / Ambient temperature

With methanol; ammonium hydroxide; hydrogen; nickel; In ethanol;

upstream raw materials:

4-hydroxycyclohexyl carboxylic acid ethyl ester

Ethyl 4-hydroxybenzoate

4-hydroxycyclohexanecarboxylic acid

Downstream raw materials:

trans-4-Acetoxy-cyclohexan-carbonsaeureamid

cis-4-Acetoxy-cyclohexan-carbonsaeureamid

Acetic acid 4-cyano-cyclohexyl ester

trans-4-Cyanocyclohexanol