Propyl carbamate

Base Information

• Chemical Name: Propyl carbamate
• CAS No.: 627-12-3
• Molecular Formula: C4H9NO2
• Molecular Weight: 103.121
• Hs Code.: 2924199090
• European Community (EC) Number: 210-984-5
• NSC Number: 4855
• UNII: TOL3EUA03Q
• DSSTox Substance ID: DTXSID7060833
• Nikkaji Number: J3.011B
• Wikidata: Q27156042
• ChEMBL ID: CHEMBL3276739
• Mol file: 627-12-3.mol

Synonyms:PROPYL CARBAMATE;627-12-3;n-Propyl carbamate;N-PROPYLCARBAMATE;Propylcarbamate;Propyl urethane;Carbamic acid, propyl ester;CCRIS 538;Propylester kyseliny karbaminove;HSDB 2588;NSC 4855;EINECS 210-984-5;UNII-TOL3EUA03Q;TOL3EUA03Q;Carbamic Acid Propyl Ester;BRN 1743059;Propylester kyseliny karbaminove [Czech];AI3-28287;CHEBI:82526;NSC-4855;MFCD00047879;4-03-00-00052 (Beilstein Handbook Reference);WLN: ZVO3;PROPYLCARBAMATE, N-;SCHEMBL41800;PROPYL CARBAMATE [HSDB];CHEMBL3276739;DTXSID7060833;NSC4855;N-PROPYL CARBAMATE [IARC];AKOS006227860;CS-W019060;DS-4558;LS-50609;SY114484;FT-0632645;C19514;F16337;EN300-6474390;A868387;Q27156042;Z1198148877

Chemical Property of Propyl carbamate

Chemical Property:

• Vapor Pressure: 0.415mmHg at 25°C
• Melting Point: 61-63 °C(lit.)
• Refractive Index: 1.422
• Boiling Point: 195.67 °C at 760 mmHg
• PKA: 13.54±0.50(Predicted)
• Flash Point: 95.619 °C
• PSA: 52.32000
• Density: 1.014 g/cm³
• LogP: 1.19200
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Water Solubility.: 200.1g/L(37 oC)
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 103.063328530
• Heavy Atom Count: 7
• Complexity: 62.7

Purity/Quality:

99.5% ^*data from raw suppliers

Carbamic Acid Propyl Ester| ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Carbamic Acid Esters
• Canonical SMILES: CCCOC(=O)N
• Uses: A metabolite of alkyl carbamate A metabolite of alkyl carbamate (ethyl or propyl).

Technology Process of Propyl carbamate

There total 17 articles about Propyl 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: 93.0%

propan-1-ol (71-23-8) + urea (57-13-6) → 1-propyl carbamate (627-12-3)

Guidance literature:

With copper nanoparticles-decorated triazinetriamine derived porous organic polymer; In 1,4-dioxane; at 80 ℃; for 4h;

DOI:10.1039/d0nj02798g

Reference yield: 92.4%

propan-1-ol (71-23-8) + 1-piperidinecarboxamide (2158-03-4) + 2,4,6-Trinitrophenol (88-89-1) → 1-propyl carbamate (627-12-3) + piperidinium picrate (6091-49-2)

Guidance literature:

for 18.5h; Product distribution; Heating;

DOI:10.1016/S0040-4020(01)91931-3

Reference yield: 81.0%

propan-1-ol (71-23-8) + sodium isocyanate (917-61-3) → 1-propyl carbamate (627-12-3)

Guidance literature:

With perchloric acid on silica gel; at 20 ℃; for 0.75h;

DOI:10.1016/j.tet.2007.06.048

upstream raw materials:

propan-1-ol

cyanic acid

nitrobiuret

urea

Downstream raw materials:

Dipropyl carbonate

n-propyl N-phenylcarbamate

1-propyl (4-methylphenyl)carbamate

propyl N-(4-nitrophenyl)carbamate

Refernces

• 1、 Sardarian, Ali Reza,Dindarloo Inaloo, Iman,Zangiabadi, Milad. "An Fe3O4@SiO2/Schiff base/Cu(ii) complex as an efficient recyclable magnetic nanocatalyst for selective mono: N-arylation of primary O-alkyl thiocarbamates and primary O-alkyl carbamates with aryl halides and arylboronic acids". . p. 8557 - 8565. Retrieved 2019/06/14.
• 2、 Dindarloo Inaloo, Iman,Majnooni, Sahar. "Ureas as safe carbonyl sources for the synthesis of carbamates with deep eutectic solvents (DESs) as efficient and recyclable solvent/catalyst systems". . p. 13249 - 13255. Retrieved 2018/08/21.