2-(Hydroxymethyl)-2-methylpentyl carbamate

Base Information

• Chemical Name: 2-(Hydroxymethyl)-2-methylpentyl carbamate
• CAS No.: 1471-56-3
• Molecular Formula: C8H17 N O3
• Molecular Weight: 175.2255
• Hs Code.: 2924190002
• NSC Number: 108719
• UNII: 8A79Y1EPZZ
• DSSTox Substance ID: DTXSID30296297
• Nikkaji Number: J2.814.563B
• Wikidata: Q27270094
• Mol file: 1471-56-3.mol

Synonyms:1471-56-3;2-(hydroxymethyl)-2-methylpentyl carbamate;[2-(hydroxymethyl)-2-methylpentyl] carbamate;1,3-Propanediol, 2-methyl-2-propyl-, 1-carbamate;Decarboxamide Meprobamate;NSC108719;8A79Y1EPZZ;Carbamic Acid 2-(Hydroxymethyl)-2-methylpentyl Ester;SCHEMBL8106200;DTXSID30296297;AKOS030241546;NSC-108719;2-(hydroxymethyl)-2-methylpentylcarbamate;FT-0665537;[2-(hydroxymethyl)-2-methyl-pentyl] carbamate;A808667;Q27270094;carbamic acid [2-(hydroxymethyl)-2-methylpentyl] ester;CARBAMIC ACID, 2-(HYDROXYMETHYL)-2-METHYLPENTYL ESTER;2-Methyl-2-propyl-1,3-propanediol Monocarbamate

Chemical Property of 2-(Hydroxymethyl)-2-methylpentyl carbamate

Chemical Property:

• Vapor Pressure: 8.96E-06mmHg at 25°C
• Melting Point: 52-56°C
• Boiling Point: 334.5°C at 760 mmHg
• Flash Point: 156.1°C
• PSA: 72.55000
• Density: 1.06g/cm³
• LogP: 1.58070
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly, Sonicated)
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 175.12084340
• Heavy Atom Count: 12
• Complexity: 149

Purity/Quality:

99% ^*data from raw suppliers

Decarboxamide Meprobamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C)(CO)COC(=O)N
• Uses: DecarboxaMide MeprobaMate is used in the preparation of Meprobamate (M227750).

Technology Process of 2-(Hydroxymethyl)-2-methylpentyl carbamate

There total 4 articles about 2-(Hydroxymethyl)-2-methylpentyl 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:

5-Methyl-5-n-propyl-1,3-dioxan-2-one (7148-50-7) → 2-methyl-2-propyl-3-hydroxypropylcarbamate (1471-56-3)

Guidance literature:

With ammonia;

DOI:10.1021/ja01156a086

Reference yield:

2-methyl-2-propyl-1,3-propanediol (78-26-2) → 2-methyl-2-propyl-3-hydroxypropylcarbamate (1471-56-3)

Guidance literature:

Multi-step reaction with 2 steps

1: antipyrine; chloroform

2: ammonia

With antipyrine; chloroform; ammonia;

DOI:10.1021/ja01156a086

Reference yield:

→ 2-methyl-2-propyl-3-hydroxypropylcarbamate (1471-56-3)

Guidance literature:

CO(NH2)2*HNO3, /BRN= 734432//DMF, Δ;

upstream raw materials:

5-Methyl-5-n-propyl-1,3-dioxan-2-one

2-methyl-2-propyl-1,3-propanediol

Downstream raw materials:

N,N,2-Trimethyl-2-propyl-1,3-dicarbamoyl-oxy-propan

N-Phenylsulfonyl-2-methyl-2-propyl-1,3-dicarbamoyloxy-propan