Cyclarbamate

Base Information

• Chemical Name: Cyclarbamate
• CAS No.: 5779-54-4
• Molecular Formula: C21H24 N2 O4
• Molecular Weight: 368.433
• European Community (EC) Number: 227-302-7
• UNII: 779291866J
• DSSTox Substance ID: DTXSID60206480
• Nikkaji Number: J8.060H
• Wikipedia: Cyclarbamate
• Wikidata: Q5198119
• NCI Thesaurus Code: C77248
• ChEMBL ID: CHEMBL2104142
• Mol file: 5779-54-4.mol

Synonyms:cyclarbamate;cyclopentaphene

Chemical Property of Cyclarbamate

Chemical Property:

• Vapor Pressure: 1.86E-08mmHg at 25°C
• Melting Point: 151-152°
• Boiling Point: 454.7°Cat760mmHg
• PKA: 13.47±0.70(Predicted)
• Flash Point: 228.8°C
• PSA: 76.66000
• Density: 1.24g/cm³
• LogP: 5.19020
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 368.17360725
• Heavy Atom Count: 27
• Complexity: 441

Purity/Quality:

99%, ^*data from raw suppliers

CYCLARBAMATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C1)(COC(=O)NC2=CC=CC=C2)COC(=O)NC3=CC=CC=C3
• Therapeutic Function: Spasmolytic

Technology Process of Cyclarbamate

There total 3 articles about Cyclarbamate 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:

cyclopentanealdehyde (872-53-7) → Dicarbanilsaeureester des 1.1-Bis-hydroxymethyl-cyclopentans (5779-54-4)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. KOH / ethanol / Heating

2: benzene / Heating

With potassium hydroxide; In ethanol; benzene;

Reference yield:

1,1-bis-(hydroxymethyl)cyclopentane (5763-53-1) + phenyl isocyanate (103-71-9) → Dicarbanilsaeureester des 1.1-Bis-hydroxymethyl-cyclopentans (5779-54-4)

Guidance literature:

In benzene; Heating;

Reference yield:

→ Dicarbanilsaeureester des 1.1-Bis-hydroxymethyl-cyclopentans (5779-54-4)

Guidance literature:

Cyclopenten II, PhNCO;

upstream raw materials:

1,1-bis-(hydroxymethyl)cyclopentane

phenyl isocyanate

cyclopentanealdehyde