Propanedial, dimethyl-

Base Information

• Chemical Name: Propanedial, dimethyl-
• CAS No.: 1185-34-8
• Molecular Formula: C5H8 O2
• Molecular Weight: 100.117
• DSSTox Substance ID: DTXSID10152140
• Nikkaji Number: J889.313F
• Wikidata: Q83018740
• Mol file: 1185-34-8.mol

Synonyms:Dimethylmalondialdehyde;Propanedial, dimethyl-;1185-34-8;2,2-dimethylpropanedial;Dimethylmalonaldehyde;SCHEMBL483531;DTXSID10152140;FT-0750898;EN300-1600571

Chemical Property of Propanedial, dimethyl-

Chemical Property:

• Vapor Pressure: 14.2mmHg at 25°C
• Boiling Point: 122.1°Cat760mmHg
• Flash Point: 35.5°C
• PSA: 34.14000
• Density: 0.946g/cm³
• LogP: 0.41040
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 100.052429494
• Heavy Atom Count: 7
• Complexity: 74.1

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C=O)C=O

Technology Process of Propanedial, dimethyl-

There total 4 articles about Propanedial, dimethyl- 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:

2,2-Dimethyl-1,3-propanediol (126-30-7) → 2,2-dimethylmalonaldehyde (1185-34-8)

Guidance literature:

With oxalyl dichloride; dimethyl sulfoxide; triethylamine; Yield given. Multistep reaction; 1.) CH₂Cl₂, -78 deg C, 1 h, 2.) CH₂Cl₂, 20 deg C, 30 min;

DOI:10.1246/cl.1994.2143

Reference yield:

2,2-Dimethyl-1,3-propanediol (126-30-7) → 2,2-dimethyl-3-hydroxypropionaldehyde (597-31-9) + 2,2-dimethylmalonaldehyde (1185-34-8)

Guidance literature:

With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In dimethylsulfoxide-d6; at 23 ℃; Product distribution; product ratio was determined by 1H NMR;

DOI:10.1016/0040-4039(95)01663-3

Reference yield:

1,1,3,3-tetraethoxy-2,2-dimethylpropane (10602-38-7) → 2,2-dimethylmalonaldehyde (1185-34-8)

Guidance literature:

With phosphoric acid;

DOI:10.1007/BF00911371

upstream raw materials:

1,1,3,3-tetraethoxy-2,2-dimethylpropane

2,2-Dimethyl-1,3-propanediol

Downstream raw materials:

4,4-Dimethyl-1,7-diphenyl-1,6-heptadiin-3,5-diol

diethyl (3RS,5RS,7SR,9SR)-5,7-dibenzyloxy-3,9-dihydroxy-2,2,6,6,10,10-hexamethylundecanedioate

(3RS,5RS,7SR,9SR)-5,7-dibenzyloxy-2,2,6,6,10,10-hexamethylundecane-1,3,9,11-tetraol

(4RS,6SR)-4,6-dibenzyloxy-5,5-dimethyl-1,8-nonadiene

Refernces

• 1、 Shinohara, Toshio,Wakita, Kazuhiko,Arai, Midori A.,Arai, Takayoshi,Sasai, Hiroaki. "Synthesis and character of new bis(isoxazoline) ligands". . p. 587 - 593. Retrieved 2003.
• 2、 Song, Liankai,Liu, Junyang,Gui, Honggang,Hui, Chunngai,Zhou, Jingjing,Guo, Yian,Zhang, Pengpeng,Xu, Zhengshuang,Ye, Tao. "Synthesis of the macrocyclic core of rhizopodin". . p. 2955 - 2959. Retrieved 2013.
• 3、 Wu, Yufan,Xu, Lixi,Shen, Yenan,Wang, Yang,Zou, Lei,Wang, Qiaochun,Jiang, Xiaoqing,Liu, Jiansen,Tian, He. "The smallest cucurbituril analogue with high affinity for Ag+". . p. 4070 - 4072. Retrieved 2017.