2,2-Dichloro-1-methylcyclopropanecarboxylic acid

Base Information

• Chemical Name: 2,2-Dichloro-1-methylcyclopropanecarboxylic acid
• CAS No.: 1447-14-9
• Molecular Formula: C5H6 Cl2 O2
• Molecular Weight: 169.007
• Hs Code.: 2916209090
• European Community (EC) Number: 215-901-6
• DSSTox Substance ID: DTXSID30932385
• Nikkaji Number: J298.630B
• Mol file: 1447-14-9.mol

Synonyms:2,2-Dichloro-1-methylcyclopropanecarboxylic acid;1447-14-9;2,2-Dichloro-1-methyl-cyclopropanecarboxylic acid;2,2-dichloro-1-methylcyclopropane-1-carboxylic acid;C5H6Cl2O2;EINECS 215-901-6;1-Methyl-2,2-dichlorocyclopropanecarboxylic acid;SCHEMBL248943;DTXSID30932385;STR05205;MFCD00001291;STK208439;AKOS000119239;AKOS016890707;AT27906;CS-0204450;FT-0633548;EN300-21332;2,2-dichloro-1-methylcyclopropylcarboxylic acid;2,2-dichloro-1-methylcyclopropane carboxylic acid;2,2-dichloro-1-methylcyclopropane-carboxylic acid;A808273;J-008003;2,2-Dichloro-1-methyl-cyclopropanecarboxylic acid, 98%

Chemical Property of 2,2-Dichloro-1-methylcyclopropanecarboxylic acid

Chemical Property:

• Vapor Pressure: 0.135mmHg at 25°C
• Melting Point: 60-65 °C(lit.)
• Boiling Point: 85 °C8 mm Hg(lit.)
• PKA: 3.51±0.50(Predicted)
• Flash Point: 87.7°C
• PSA: 37.30000
• Density: 1.51g/cm³
• LogP: 1.65490
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 167.9744848
• Heavy Atom Count: 9
• Complexity: 166

Purity/Quality:

≥ 96% ^*data from raw suppliers

2,2-Dichloro-1-methyl-cyclopropanecarboxylic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1(CC1(Cl)Cl)C(=O)O
• Uses: 2,2-Dichloro-1-methyl-cyclopropanecarboxylic acid was used in solid phase synthesis of α-hydroxy esters, inhibitors of amyloid-β production.

Technology Process of 2,2-Dichloro-1-methylcyclopropanecarboxylic acid

There total 9 articles about 2,2-Dichloro-1-methylcyclopropanecarboxylic 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: 86.2%

poly(methacrylic acid) (79-41-4,25087-26-7,50867-57-7) + chloroform (67-66-3,8013-54-5) → 2,2-dichloro-1-methylcyclopropanecarboxylic acid (1447-14-9)

Guidance literature:

With benzyltriethylammonium bromide; sodium hydroxide; at 20 ℃; for 4h;

Reference yield: 44.99%

1-vinyl-1-methyl-2,2-dichlorocyclopropane (5296-49-1) → 2,2-dichloro-1-methylcyclopropanecarboxylic acid (1447-14-9)

Guidance literature:

With potassium permanganate; In acetone; for 4h; Ambient temperature;

Reference yield: 23.0%

1-vinyl-1-methyl-2,2-dichlorocyclopropane (5296-49-1) + semicarbazide hydrochloride (563-41-7) → 2,2-dichloro-1-methylcyclopropanecarboxylic acid (1447-14-9) + 2,2-dichloro-1-methylcyclopropane-1-carbaldehyde semicarbazone + 2,2-dichloro-1-methylcyclopropane-1-carbaldehyde (85393-10-8)

Guidance literature:

1-vinyl-1-methyl-2,2-dichlorocyclopropane; With oxygen; ozone; acetic acid; In dichloromethane; at -65 ℃;

semicarbazide hydrochloride; In dichloromethane; at -65 - 20 ℃;

DOI:10.1134/S1070428018030028

upstream raw materials:

2,2-dichloro-1-methylcyclopropylcarboxamide

2,2-Dichlor-1-methyl-1--cyclopropan

1-vinyl-1-methyl-2,2-dichlorocyclopropane

2,2-dichloro-1-methylcyclopropanecarbonitrile

Downstream raw materials:

methyl 2,2-dichloro-1-methylcyclopropanecarboxylate

3-phenoxybenzyl 2,2-dichloro-1-methylcyclopropane-1-carboxylate

α(RS)-cyano-3-phenoxybenzyl 2,2-dichloro-1-methylcyclopropane-1-carboxylate

2,2-dichloro-1-methylcyclopropyl carboxylic acid N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazide

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