2-Hydroxyvaleronitrile

Base Information

• Chemical Name: 2-Hydroxyvaleronitrile
• CAS No.: 5699-72-9
• Molecular Formula: C5H9 N O
• Molecular Weight: 99.1326
• Hs Code.: 2926909090
• European Community (EC) Number: 227-182-6
• DSSTox Substance ID: DTXSID50972480
• Nikkaji Number: J134.024G
• Mol file: 5699-72-9.mol

Synonyms:beta-hydroxyvaleronitrile

Chemical Property of 2-Hydroxyvaleronitrile

Chemical Property:

• Vapor Pressure: 0.0529mmHg at 25°C
• Boiling Point: 207.3°Cat760mmHg
• Flash Point: 79.2°C
• PSA: 44.02000
• Density: 0.968g/cm³
• LogP: 0.67098
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 99.068413911
• Heavy Atom Count: 7
• Complexity: 81.3

Purity/Quality:

98%Min ^*data from raw suppliers

2-hydroxypentanenitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C#N)O

Technology Process of 2-Hydroxyvaleronitrile

There total 12 articles about 2-Hydroxyvaleronitrile 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: 99.0%

hydrogen cyanide (74-90-8) + butyraldehyde (123-72-8) → 1-Cyanobutanol (5699-72-9)

Guidance literature:

In water; at 5 ℃; pH=8; Temperature; pH-value;

Reference yield: 95.0%

potassium cyanide + butyraldehyde (123-72-8) → 1-Cyanobutanol (5699-72-9)

Guidance literature:

With sodium hydrogensulfite; In water; at 0 ℃; for 1h;

DOI:10.1080/00397910802440348

Reference yield: 95.0%

2-Trimethylsilanyloxy-pentanenitrile (78485-85-5) → 1-Cyanobutanol (5699-72-9)

Guidance literature:

With hydrogenchloride; In water; at 20 ℃; for 2h;

DOI:10.1039/b900254e

upstream raw materials:

hydrogen cyanide

butyraldehyde

2-hydroxy-2-methylpropanenitrile

sodium cyanide

Downstream raw materials:

N,N-dibenzyl-norvaline amide

N-Formylamid v. Homovalin

(R)-(+)-2-hydroxypentanenitrile

4-cyanobutyric acid

Refernces

• 1、 Kelly, Shane S.,Shen, Tun-Li,Xian, Ming. "Oxygen-to-Oxygen Silyl Migration of α-Siloxy Sulfoxides and Oxidation-Triggered Allicin Formation". supporting information. p. 3741 - 3745. Retrieved 2021/05/10.
• 2、 -. "A method for synthesis of 1, 2 - pentanediol (by machine translation)". Paragraph 0024; 0029; 0034; 0039; 0042; 0044; 0050. . Retrieved 2018/10/19.