Meparfynol carbamate

Base Information

• Chemical Name: Meparfynol carbamate
• CAS No.: 302-66-9
• Molecular Formula: C7H11 N O2
• Molecular Weight: 141.17
• Hs Code.: 2924199090
• European Community (EC) Number: 206-125-9
• UNII: Z7LGX24O53
• DSSTox Substance ID: DTXSID40871630
• Nikkaji Number: J5.483F
• Wikidata: Q27295118
• ChEMBL ID: CHEMBL453247
• Mol file: 302-66-9.mol

Synonyms:methylpentynol carbamate

Chemical Property of Meparfynol carbamate

Chemical Property:

• Vapor Pressure: 0.0447mmHg at 25°C
• Melting Point: 55.8-57° (McLamore); mp 53.5-55° (McCrea)
• Refractive Index: 1.4300 (estimate)
• Boiling Point: 237.5°Cat760mmHg
• PKA: 12.98±0.50(Predicted)
• Flash Point: 105.1°C
• PSA: 53.31000
• Density: 1.045g/cm³
• LogP: 1.39740
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 141.078978594
• Heavy Atom Count: 10
• Complexity: 179

Purity/Quality:

99% ^*data from raw suppliers

(3-METHYLPENT-1-YN-3-YL) CARBAMATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(C#C)OC(=O)N

Technology Process of Meparfynol carbamate

There total 4 articles about Meparfynol carbamate 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:

phenyl chloroformate (1885-14-9) + meparfynol (77-75-8) → carbamic acid-(1-ethyl-1-methyl-prop-2-ynyl ester) (302-66-9)

Guidance literature:

With pyridine; und Behandeln einer Loesung des Reaktionsprodukts in Aether mit fluessigem Ammoniak;

DOI:10.1021/jo01127a014

Reference yield:

meparfynol (77-75-8) → carbamic acid-(1-ethyl-1-methyl-prop-2-ynyl ester) (302-66-9)

Guidance literature:

With trichloroacetic acid;

Reference yield:

carbamic chloride (463-72-9) + meparfynol (77-75-8) → carbamic acid-(1-ethyl-1-methyl-prop-2-ynyl ester) (302-66-9)

Guidance literature:

With diethyl ether;

upstream raw materials:

phenyl chloroformate

meparfynol

carbamic chloride

phosgene