(S)-2-Hydroxyvaleric acid

Base Information

• Chemical Name: (S)-2-Hydroxyvaleric acid
• CAS No.: 41014-93-1
• Molecular Formula: C5H10O3
• Molecular Weight: 118.133
• Hs Code.: 2918199090
• European Community (EC) Number: 255-175-8
• DSSTox Substance ID: DTXSID301016643
• Nikkaji Number: J84.576K
• Mol file: 41014-93-1.mol

Synonyms:41014-93-1;(S)-2-HYDROXYPENTANOIC ACID;(S)-2-Hydroxyvaleric acid;(2S)-2-hydroxypentanoic acid;EINECS 255-175-8;MFCD11975325;(S)-2-hydroxyvalericacid;s-2-Hydroxyvaleric acid;L-2-Hydroxyvaleric acid;SCHEMBL360594;(s)-(+)2-hydroxypentanoic acid;DTXSID301016643;AKOS006377426;CS-W007126;DS-6179;EN300-316679;A825393

Chemical Property of (S)-2-Hydroxyvaleric acid

Chemical Property:

• Vapor Pressure: 0.00405mmHg at 25°C
• Melting Point: 52-55 °C(Solv: carbon tetrachloride (56-23-5))
• Refractive Index: 1.458
• Boiling Point: 248 °C at 760 mmHg
• PKA: 3.85±0.20(Predicted)
• Flash Point: 118 °C
• PSA: 57.53000
• Density: 1.14 g/cm³
• LogP: 0.23200
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 118.062994177
• Heavy Atom Count: 8
• Complexity: 79.7

Purity/Quality:

97% ^*data from raw suppliers

(S)-2-hydroxyvalericacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C(=O)O)O
• Isomeric SMILES: CCC[C@@H](C(=O)O)O

Technology Process of (S)-2-Hydroxyvaleric acid

There total 21 articles about (S)-2-Hydroxyvaleric acid 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: 94.0%

2-oxopentanoic acid sodium salt (13022-83-8) → 2-(S)-hydroxyvaleric acid (41014-93-1,6450-97-1)

Guidance literature:

With potassium hydroxide; mercaptoethyl alcohol; sodium formate; 2-amino-2-hydroxymethyl-1,3-propanediol; NAD; In water; for 72h;

DOI:10.1021/ja00217a044

Reference yield: 89.0%

(S)-2-Hydroxy-pentanoic acid (1R,2S,3R,4S)-1,7,7-trimethyl-3-(naphthalene-1-sulfonylamino)-bicyclo[2.2.1]hept-2-yl ester → 2-(S)-hydroxyvaleric acid (41014-93-1,6450-97-1)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; water; for 1h; Ambient temperature;

DOI:10.1021/jo00057a004

Reference yield: 89.0%

2-oxopentanoic acid (1821-02-9) → 2-(S)-hydroxyvaleric acid (41014-93-1,6450-97-1)

Guidance literature:

With NAD; hydrogen; In hydrogenchloride; for 35h; Ambient temperature;

DOI:10.1139/v89-161

upstream raw materials:

L-Norvaline

2-hydroxyvaleric acid

2-oxopentanoic acid sodium salt

(1S,2S,6R,7R)-4-(1-Methoxymethoxy-butyl)-1,10,10-trimethyl-3-oxa-5-aza-tricyclo[5.2.1.0^2,6]dec-4-ene

Downstream raw materials:

(S)-(-)-1,2-pentanediol

(R)-1,2-pentanediol

(S)-(-)-benzyl 2-hydroxypentanoate

methyl (S)-2-(4-bromobenzyloxy)pentanoate