5-Chlorovaleric acid

Base Information

• Chemical Name: 5-Chlorovaleric acid
• CAS No.: 1119-46-6
• Molecular Formula: C5H9ClO2
• Molecular Weight: 136.578
• Hs Code.: 2915.90
• European Community (EC) Number: 214-279-3
• UNII: 3PGL46Y9GQ
• DSSTox Substance ID: DTXSID60149767
• Nikkaji Number: J125.373E
• Wikidata: Q27128460
• Metabolomics Workbench ID: 61234
• Mol file: 1119-46-6.mol

Synonyms:5-Chlorovaleric acid;1119-46-6;5-CHLOROPENTANOIC ACID;Pentanoic acid, 5-chloro-;5-Chloro-n-valeric acid;5-chloro-pentanoic acid;5-chloro-valeric acid;omega-chlorovaleric acid;omega-chloropentanoic acid;5-Chlorovalericacid;3PGL46Y9GQ;EINECS 214-279-3;MFCD00004415;5-Chloropentanoic acid #;UNII-3PGL46Y9GQ;SCHEMBL192022;CHEBI:60701;YSXDKDWNIPOSMF-UHFFFAOYSA-;DTXSID60149767;.DELTA.-CHLOROVALERIC ACID;AMY40897;.DELTA.-CHLOROPENTANOIC ACID;LMFA01090154;.OMEGA.-MONOCHLOROVALERIC ACID;AKOS009157283;CS-W022362;5-Chlorovaleric acid, >=98.0% (GC);AS-15770;SY051600;FT-0620343;EN300-57010;W-108663;Q27128460

Chemical Property of 5-Chlorovaleric acid

Chemical Property:

• Appearance/Colour: Clear liquid
• Vapor Pressure: 0.0227mmHg at 25°C
• Melting Point: 18 °C(lit.)
• Refractive Index: 1.4555
• Boiling Point: 230.9 °C at 760 mmHg
• PKA: 4?+-.0.10(Predicted)
• Flash Point: 93.446 °C
• PSA: 37.30000
• Density: 1.167 g/cm³
• LogP: 1.48010
• Storage Temp.: 2-8°C
• Solubility.: Chloroform, DMSO, Ethyl Acetate
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 136.0291072
• Heavy Atom Count: 8
• Complexity: 72.8

Purity/Quality:

99% ^*data from raw suppliers

5- ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(CCCl)CC(=O)O
• Uses: Labelled α-Ergocryptine. α-Ergocryptine is an ergopeptine and one of the ergot alkaloids. An impurity of 2-Bromo-α-Ergocryptine Mesylate (B682600). 5-Chlorovaleric acid was used to derivatize L-hydroxyproline for the synthesis of haptens HP1 and HP2. These haptens were used in the preparation of antibodies against L-hydroxyproline.

Technology Process of 5-Chlorovaleric acid

There total 39 articles about 5-Chlorovaleric 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: 89.0%

5-chloropentan-1-ol (5259-98-3) → 5-chloro-valeric acid (1119-46-6)

Guidance literature:

With ruthenium trichloride; sodium periodate; In ethyl acetate; acetonitrile; at 20 ℃; for 2h;

DOI:10.1080/00397919908086465

Reference yield: 89.0%

C5H10ClNO → 5-chloro-valeric acid (1119-46-6)

Guidance literature:

With [hydroxy(tosyloxy)iodo]benzene; water; In dimethyl sulfoxide; at 20 ℃; for 24h;

DOI:10.1039/c7ob02858j

Reference yield: 70.0%

2-((Z)-5-Chloro-1-trimethylgermanyl-pent-1-enyl)-[1,3,2]dioxaborinane → 5-chloro-valeric acid (1119-46-6)

Guidance literature:

With sodium hydroxide; dihydrogen peroxide; In tetrahydrofuran; methanol; at 20 ℃; for 4h;

DOI:10.1016/j.tetlet.2005.05.135

upstream raw materials:

piperidin-2-one

3,4,5,6-tetrahydro-2H-pyran-2-one

1,1,1,5-tetrachloropentane

1,1,5-trichloro-pent-1-ene

Downstream raw materials:

methyl 5-chloropentanoate

ethyl 5-chloropentanoate

1-chloro-13-fluoro-tridecane

piperidin-2-one