Dipropylmalonic acid

Base Information

• Chemical Name: Dipropylmalonic acid
• CAS No.: 1636-27-7
• Molecular Formula: C9H16O4
• Molecular Weight: 188.224
• Hs Code.: 2917190090
• European Community (EC) Number: 216-664-1
• NSC Number: 62680
• DSSTox Substance ID: DTXSID20167624
• Nikkaji Number: J22.517G
• Wikidata: Q72469472
• Mol file: 1636-27-7.mol

Synonyms:Dipropylmalonic acid;1636-27-7;2,2-Dipropylmalonic acid;2,2-dipropylpropanedioic acid;di-n-Propylmalonic acid;Propanedioic acid, dipropyl-;Malonic acid, dipropyl-;Propanedioic acid, 2,2-dipropyl-;Heptane-4,4-dicarboxylic Acid;dipropylpropanedioic acid;4,4-Heptanedicarboxylic acid;EINECS 216-664-1;EC 216-664-1;Dipropylmalonsaure;2,2-Dipropylmalonicacid;2,2'-Dipropylmalonic acid;2,2-Dipropylmalonic acid #;SCHEMBL1031267;DIRSQLKNZQKDBK-UHFFFAOYSA-;DTXSID20167624;HMS1664L14;NSC62680;MFCD00051476;NSC 62680;NSC-62680;AKOS005255669;CS-W016800;AS-60942;D0934;FT-0625203;EN300-144409;T70377;A810495;W-107951;D-Glucitol 1-[2-[2-[4-[(4-Chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]acetate];(2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-acetonitrile

Chemical Property of Dipropylmalonic acid

Chemical Property:

• Appearance/Colour: White crystalline powder
• Vapor Pressure: 1.07E-05mmHg at 25°C
• Melting Point: 154-156 °C
• Refractive Index: 1.474
• Boiling Point: 345.778 °C at 760 mmHg
• PKA: pK1:2.04;pK2:7.51 (25°C)
• Flash Point: 177.118 °C
• PSA: 74.60000
• Density: 1.131 g/cm³
• LogP: 1.74220
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 188.10485899
• Heavy Atom Count: 13
• Complexity: 176

Purity/Quality:

99.9% ^*data from raw suppliers

2,2-DipropylmalonicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: R36/37/38:Irritating to eyes, respiratory system and skin.
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(CCC)(C(=O)O)C(=O)O

Technology Process of Dipropylmalonic acid

There total 3 articles about Dipropylmalonic 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: 95.0%

2,2-dimethyl-5,5-dipropyl-[1,3]dioxane-4,6-dione → di-n-propylmalonic acid (1636-27-7)

Guidance literature:

With hydrogenchloride; for 0.0333333h; microwave irradiation;

Reference yield:

dimethyl (di-1-propyl)malonate (16644-05-6) → di-n-propylmalonic acid (1636-27-7)

Guidance literature:

With water; sodium hydroxide; In ethanol; for 2h; Reflux;

Reference yield:

1-iodo-propane (107-08-4) + diethyl malonate (105-53-3) → di-n-propylmalonic acid (1636-27-7)

Guidance literature:

With zinc; Verseifen des entstehenden Diaethylesters mit alkoholischer Kalilauge;

upstream raw materials:

1-iodo-propane

diethyl malonate

dimethyl (di-1-propyl)malonate

Downstream raw materials:

N-<3-Propyl-pentanoyl>-harnstoff

methyl 2-propylvalerate

2-propylpentanal

valproic acid

Refernces

• 1、 Helavi,Solabannavar,Desai,Mane. "Microwave assisted hydrolysis of Meldrum's acid derivatives and decarboxylation of derived malonic acids". . p. 174 - 175. Retrieved 2007/10/03.