2-Propylvaleryl chloride

Base Information

• Chemical Name: 2-Propylvaleryl chloride
• CAS No.: 2936-08-5
• Molecular Formula: C8H15ClO
• Molecular Weight: 162.66
• Hs Code.: 2915900090
• European Community (EC) Number: 220-914-5
• UNII: SQT2TYW2PR
• DSSTox Substance ID: DTXSID40183583
• Nikkaji Number: J150.904G
• Wikidata: Q83054399
• Mol file: 2936-08-5.mol

Synonyms:2-Propylvaleryl chloride;2936-08-5;2-Propylpentanoyl chloride;2,2-di-n-Propylacetyl chloride;Valproyl Chloride;Dipropylacetyl Chloride;Pentanoyl chloride, 2-propyl-;2,2-DI-N-PROPYLACETYLCHLORIDE;SQT2TYW2PR;2-Propylvaleroyl Chloride;2-n-Propyl-n-valeroyl chloride;Valproic acid chloride;UNII-SQT2TYW2PR;di-n-propylacetyl chloride;2-n-propylvaleroyl chloride;2-n-propylpentanoyl chloride;dipropyl acetic acid chloride;2-Propylpentanoyl chloride #;Pentanoyl chloride,2-propyl-;SCHEMBL526139;2-n-propyl-n-pentanoyl chloride;PITHYUDHKJKJNQ-UHFFFAOYSA-;DTXSID40183583;EINECS 220-914-5;VALERYL CHLORIDE, 2-PROPYL-;MFCD00051446;AKOS006227595;2-N-Propyl-N-valeroyl chloride, AldrichCPR;FT-0609290;P0824;D92017

Chemical Property of 2-Propylvaleryl chloride

Chemical Property:

• Refractive Index: 1.4310-1.4330
• Boiling Point: 184.3 °C at 760 mmHg
• Flash Point: 67.2 °C
• PSA: 17.07000
• Density: 0.959 g/cm³
• LogP: 2.96820
• Sensitive.: Moisture Sensitive
• Water Solubility.: Reacts with water.
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 162.0811428
• Heavy Atom Count: 10
• Complexity: 95.4

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Propylvaleryl Chloride >99.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,Xn
• Statements: 34-22
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(CCC)C(=O)Cl
• Uses: 2,2-Di-n-propylacetyl chloride is used to produce 1,2-bis-(2-propyl-valerylamino)-ethan.

Technology Process of 2-Propylvaleryl chloride

There total 4 articles about 2-Propylvaleryl 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: 100.0%

valproic acid (99-66-1) → valproyl chloride (2936-08-5)

Guidance literature:

With thionyl chloride; In toluene; Heating;

DOI:10.1016/j.ejmech.2005.02.011

Reference yield:

thionyl chloride (7719-09-7) + valproic acid (99-66-1) → valproyl chloride (2936-08-5)

Guidance literature:

In dichloromethane; at 25 ℃; for 12h;

DOI:10.1021/jm901229s

Reference yield:

ethyl 2-propylpentanoate (17022-31-0) → valproyl chloride (2936-08-5)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide / methanol; water / 3 h / Reflux

2: chlorinating agent / dichloromethane / 0 °C

With sodium hydroxide; In methanol; dichloromethane; water;

DOI:10.1021/acs.jmedchem.0c00230

upstream raw materials:

valproic acid

thionyl chloride

ethyl 2-propylpentanoate

Downstream raw materials:

2-bromo-2-propyl pentanoic acid ethyl ester

2-Propyl-valeriansaeure-anilid

1-phenyl-2-propyl-pentan-1-one

methyl 2-propylvalerate

Refernces

• 1、 Bechar, Elly,Astroug, Henri. "Synthesis and pharmacological activity of two derivatives of the amide of valproic acid". . p. 273 - 276. Retrieved 1997.
• 2、 Alpuche-García, Andrea,Dávila-González, Xochitl,Arregui, Leticia,Beltrán, Hiram I.. "Novel valproic aminophenol amides with enhanced glial cell viability effect". . p. 12391 - 12399. Retrieved 2017.
• 3、 Prestegui-Martel, Berenice,Bermúdez-Lugo, Jorge Antonio,Chávez-Blanco, Alma,Due?as-González, Alfonso,García-Sánchez, José Rubén,Pérez-González, Oscar Alberto,Padilla-Martínez, Itzia Irene,Fragoso-Vázquez, Manuel Jonathan,Mendieta-Wejebe, Jessica Elena,Correa-Basurto, Ana María,Méndez-Luna, David,Trujillo-Ferrara, José,Correa-Basurto, José. "N-(2-hydroxyphenyl)-2-propylpentanamide, a valproic acid aryl derivative designed in silico with improved anti-proliferative activity in HeLa, rhabdomyosarcoma and breast cancer cells". . p. 140 - 149. Retrieved 2016.
• 4、 -. "PROCESS FOR THE PREPARATION OF EFLORNITHINE DERIVATIVES AND THEIR PHARMACEUTICAL ACCEPTABLE SALTS THEREOF". Paragraph 0054-0056. . Retrieved 2021/12/28.
• 5、 Tng, Jiahui,Lim, Junxian,Wu, Kai-Chen,Lucke, Andrew J.,Xu, Weijun,Reid, Robert C.,Fairlie, David P.. "Achiral Derivatives of Hydroxamate AR-42 Potently Inhibit Class i HDAC Enzymes and Cancer Cell Proliferation". supporting information. p. 5956 - 5971. Retrieved 2020/06/05.