2,2-Dimethylvaleroyl chloride

Base Information

• Chemical Name: 2,2-Dimethylvaleroyl chloride
• CAS No.: 15721-22-9
• Molecular Formula: C7H13 Cl O
• Molecular Weight: 148.633
• Hs Code.: 2915.90
• European Community (EC) Number: 605-087-4
• DSSTox Substance ID: DTXSID5074008
• Nikkaji Number: J1.606.662A
• Wikidata: Q72472344
• Mol file: 15721-22-9.mol

Synonyms:2,2-Dimethylvaleroyl chloride;15721-22-9;2,2-Dimethylpentanoyl chloride;Pentanoyl chloride, 2,2-dimethyl-;2,2-Dimethyl valeroyl chloride;2,2-dimethypentanoyl chloride;SCHEMBL1114619;DTXSID5074008;2,2-Dimethylpentanoyl chloride #;2,2-Dimethylpentanoic acid chloride;AKOS006271779;FT-0695029

Chemical Property of 2,2-Dimethylvaleroyl chloride

Chemical Property:

• Appearance/Colour: Clear to yellowish liquid
• Vapor Pressure: 3.11mmHg at 25°C
• Boiling Point: 83 at 77 mm Hg
• Flash Point: 44.7 °C
• PSA: 17.07000
• Density: 0.973 g/cm³
• LogP: 2.57810
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 148.0654927
• Heavy Atom Count: 9
• Complexity: 108

Purity/Quality:

98%Min ^*data from raw suppliers

2,2-Dimethylvaleroylchloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 8 (Packing group: II) UN NO.
• Hazard Codes: 8 (Packing group: II) UN NO.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C)(C)C(=O)Cl

Technology Process of 2,2-Dimethylvaleroyl chloride

There total 3 articles about 2,2-Dimethylvaleroyl chloride 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%

→ 2,2-dimethylvaleroyl chloride (15721-22-9)

Guidance literature:

Reference yield:

2,2-dimethyl-n-valeric acid (1185-39-3) → 2,2-dimethylvaleroyl chloride (15721-22-9)

Guidance literature:

With thionyl chloride;

DOI:10.1021/ja00812a040

Reference yield:

→ 2,2-dimethylvaleroyl chloride (15721-22-9)

Guidance literature:

With thionyl chloride;

upstream raw materials:

2,2-dimethyl-n-valeric acid

Downstream raw materials:

2,2-dimethyl-pentanoic acid N'-(2-hydroxy-1-methyl-2-phenyl-ethyl)-N'-methyl-hydrazide

2,2-Dimethyl-pentanoic acid [3-(2,2-dimethyl-pentanoylamino)-2-methyl-phenyl]-amide

2,2-Dimethyl-pentanoic acid (3-chloro-4-nitro-phenyl)-amide

N-(2,2-Dimethyl-valeryl)-4-nitro-3-trifluormethyl-anilin

Refernces

• 1、 Deng, Jianping,Tabei, Junichi,Shiotsuki, Masashi,Sanda, Fumio,Masuda, Toshio. "Dynamically stable helices of poly(N-propargylamides) with bulky aliphatic groups". . p. 5149 - 5154. Retrieved 2004.
• 2、 -. "COMPOSITIONS AND METHODS OF MAKING EXPANDED HEMATOPOIETIC STEM CELLS USING PTEN INHIBITORS". Paragraph 0325. . Retrieved 2018/12/13.
• 3、 Wang, Chunxia,Zhang, Luoqiang,You, Jingsong. "Nickel-Catalyzed Aminoxylation of Inert Aliphatic C(sp3)-H Bonds with Stable Nitroxyl Radicals under Air: One-Pot Route to α-Formyl Acid Derivatives". supporting information. p. 1690 - 1693. Retrieved 2017/04/11.