2-Propynyl carbamate

Base Information

• Chemical Name: 2-Propynyl carbamate
• CAS No.: 16754-39-5
• Molecular Formula: C4H5 N O2
• Molecular Weight: 99.0892
• NSC Number: 515714
• UNII: FTW4HB624C
• DSSTox Substance ID: DTXSID30168304
• Nikkaji Number: J42.815I
• Wikidata: Q83037871
• Mol file: 16754-39-5.mol

Synonyms:prop-2-ynyl carbamate;16754-39-5;2-Propynyl carbamate;Propargyl carbamate;prop-2-yn-1-yl carbamate;CARBAMIC ACID, 2-PROPYNYL ESTER;2-Propyn-1-ol, carbamate;Carbamic acid 2-propynyl ester;NSC 515714;BRN 1745112;FTW4HB624C;NSC-515714;4-03-00-00063 (Beilstein Handbook Reference);prop-2-yn-1-ylcarbamate;UNII-FTW4HB624C;2-Propyn-1-ol, 1-carbamate;1-CARBAMOYLOXY-2-PROPYNE;DTXSID30168304;1-(CARBAMYLOXY)-2-PROPYNE;MFCD00459996;NSC515714;AKOS006342050;2-Propyn-1-ol, carbamate (8CI,9CI);LS-50625;CS-0447751;EN300-731032;Z1203578973

Chemical Property of 2-Propynyl carbamate

Chemical Property:

• Vapor Pressure: 0.0755mmHg at 25°C
• Melting Point: 43-44 °C
• Boiling Point: 227.9°Cat760mmHg
• PKA: 12.74±0.50(Predicted)
• Flash Point: 136.2°C
• PSA: 52.32000
• Density: 1.159g/cm³
• LogP: 0.41520
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 99.032028402
• Heavy Atom Count: 7
• Complexity: 110

Purity/Quality:

99% ^*data from raw suppliers

Prop-2-ynylCarbamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CCOC(=O)N

Technology Process of 2-Propynyl carbamate

There total 5 articles about 2-Propynyl 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: 78.0%

propargyl alcohol (107-19-7) + Trichloroacetyl isocyanate (3019-71-4) → prop-2-yn-1-yl carbamate (16754-39-5)

Guidance literature:

propargyl alcohol; Trichloroacetyl isocyanate; In dichloromethane; benzene; at 20 ℃;

With potassium carbonate; In methanol; dichloromethane; benzene; at 20 ℃; for 3h;

DOI:10.1002/chem.201705670

Reference yield:

sodium cyanide (143-33-9,25596-52-5) + propargyl alcohol (107-19-7) → prop-2-yn-1-yl carbamate (16754-39-5)

Guidance literature:

With trifluoroacetic acid; In diethyl ether;

DOI:10.1021/jo01047a033

Reference yield:

phosgene (75-44-5) + propargyl alcohol (107-19-7) → prop-2-yn-1-yl carbamate (16754-39-5)

Guidance literature:

With toluene; trimethylamine; und Behandeln einer Loesung des Reaktionsprodukts in Toluol mit wss.Ammoniak;

DOI:10.1080/08964280109595773

upstream raw materials:

phosgene

propargyl alcohol

urea

sodium cyanide

Downstream raw materials:

(2-Chloro-5-trifluoromethyl-benzenesulfonyl)-prop-2-ynyloxycarbonylamino-acetic acid

Carbamic acid 4-hydroxy-6-[2-((2S,3R)-3-iodomethyl-1-trityl-aziridin-2-yl)-oxazol-5-yl]-hex-2-ynyl ester