2-Bromovaleric acid

Base Information

• Chemical Name: 2-Bromovaleric acid
• CAS No.: 584-93-0
• Deprecated CAS: 2681-92-7
• Molecular Formula: C5H9BrO2
• Molecular Weight: 181.029
• Hs Code.: 29159000
• European Community (EC) Number: 209-546-6
• NSC Number: 184
• DSSTox Substance ID: DTXSID10883447
• Nikkaji Number: J49.622G
• Mol file: 584-93-0.mol

Synonyms:2-Bromovaleric acid;584-93-0;2-BROMOPENTANOIC ACID;Pentanoic acid, 2-bromo-;Valeric acid, 2-bromo-;.alpha.-Bromovaleric acid;alpha-Bromovaleric acid;a-Bromo-n-valeric acid;alpha-Bromopentanoic acid;2-BROMOVALERICACID;alpha-Bromo-n-valeric acid;Valeric acid, alpha-bromo-;.alpha.-Bromopentanoic acid;Valeric acid, .alpha.-bromo-;NSC 184;EINECS 209-546-6;AI3-52317;bromvaleriansaure;Bromovaleric acid;2-bromo-n-valeric acid;WLN: QVYE3;2-Bromovaleric acid, 98%;.alpha.-Bromo-n-valeric acid;SCHEMBL287910;NSC184;DTXSID10883447;NSC-184;MFCD00004217;AKOS002664706;AKOS016043517;AS-11031;B0667;FT-0611622;EN300-83193;E77033;J-508562;F8881-0383

Chemical Property of 2-Bromovaleric acid

Chemical Property:

• Appearance/Colour: Clear pale yellow liquid
• Vapor Pressure: 0.021mmHg at 25°C
• Melting Point: 252 °C (sublm)
• Refractive Index: n20/D 1.4709(lit.)
• Boiling Point: 232.188 °C at 760 mmHg
• PKA: 2.97±0.20(Predicted)
• Flash Point: 94.225 °C
• PSA: 37.30000
• Density: 1.518 g/cm³
• LogP: 1.63460
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 179.97859
• Heavy Atom Count: 8
• Complexity: 82.5

Purity/Quality:

99% ^*data from raw suppliers

2-Bromovaleric Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T, C
• Hazard Codes: T,C
• Statements: 23/24/25-34-22
• Safety Statements: 26-27-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCC(C(=O)O)Br
• Uses: 2-Bromovaleric acid was used in the solid-phase synthesis of 2,4,5-trisubstituted thiomorpholine-3-ones.

Technology Process of 2-Bromovaleric acid

There total 6 articles about 2-Bromovaleric 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: 91.0%

valeric acid (109-52-4) → 2-Bromovaleric acid (584-93-0)

Guidance literature:

With bromine; phosphorus trichloride; for 4.5h; Heating;

DOI:10.1039/b618540a

Reference yield:

n-valeryl chloride (638-29-9) → 2-Bromovaleric acid (584-93-0)

Guidance literature:

With bromine; at 90 ℃; for 16h; Yield given; 2) 100 deg C, 0.5 h;

Reference yield:

2-aminopentanoic acid (760-78-1,498-18-0) → 2-Bromovaleric acid (584-93-0)

Guidance literature:

With hydrogen bromide; sodium nitrite; In water;

DOI:10.1021/ja510603w

upstream raw materials:

n-propylmalonic acid

valeric acid

2-hydroperoxy-butan-2-ol

acrylonitrile

Downstream raw materials:

methyl 2-bromovalerate

(2RS)-2-phenoxyvaleric acid

2-benzoylaminooxy-pentanoic acid

3-(2-phenylsulfanyl-ethyl)-4-propyl-sydnone

Refernces

• 1、 -. "Synthetic method of 2-substituted-1-(2-thiophene)-1-pentanone". Paragraph 0011. . Retrieved 2018/03/28.
• 2、 Murphy, Maureen,Lynch, Denis,Schaeffer, Marcel,Kissane, Marie,Chopra, Jay,O'Brien, Elisabeth,Ford, Alan,Ferguson, George,Maguire, Anita R.. "Investigation of the synthetic and mechanistic aspects of the highly stereoselective transformation of α-thioamides to α-thio-β- chloroacrylamides". . p. 1228 - 1241. Retrieved 2008/02/03.