Emylcamate

Base Information

• Chemical Name: Emylcamate
• CAS No.: 78-28-4
• Molecular Formula: C7H15 N O2
• Molecular Weight: 145.202
• European Community (EC) Number: 201-101-4
• NSC Number: 169917,169882
• UNII: KCJ747D3R4
• DSSTox Substance ID: DTXSID40228645
• Nikkaji Number: J4.219F
• Wikipedia: Emylcamate
• Wikidata: Q378997
• NCI Thesaurus Code: C76506
• Metabolomics Workbench ID: 154366
• ChEMBL ID: CHEMBL2104208
• Mol file: 78-28-4.mol

Synonyms:emylcamate

Chemical Property of Emylcamate

Chemical Property:

• Vapor Pressure: 0.0562mmHg at 25°C
• Melting Point: 56-58.5°
• Refractive Index: 1.4206 (estimate)
• Boiling Point: 233.3°C at 760 mmHg
• Flash Point: 92.7°C
• PSA: 52.32000
• Density: 0.959g/cm³
• LogP: 2.36070
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 145.110278721
• Heavy Atom Count: 10
• Complexity: 119

Purity/Quality:

99%, ^*data from raw suppliers

Emylcamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(CC)OC(=O)N
• Uses: Emylcamate is used in combination with compounds that influence brain function and or psychological state to treat herpes virus infection and outbreaks.
• Therapeutic Function: Tranquilizer

Technology Process of Emylcamate

There total 5 articles about Emylcamate 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:

3-methylpentan-3-ol (77-74-7) + sodium cyanide (143-33-9,25596-52-5) → emylcamate (78-28-4)

Guidance literature:

With trifluoroacetic acid;

DOI:10.1021/jo01047a033

Reference yield:

→ emylcamate (78-28-4)

Guidance literature:

With diethyl ether; ammonia;

Reference yield:

3-methylpentan-3-ol (77-74-7) + carbamic chloride (463-72-9) → emylcamate (78-28-4)

Guidance literature:

With diethyl ether;

upstream raw materials:

3-methylpentan-3-ol

carbamic chloride

phenyl chloroformate

sodium cyanide