2-(cyclopropylmethoxy)acetic Acid

Base Information

• Chemical Name: 2-(cyclopropylmethoxy)acetic Acid
• CAS No.: 246869-08-9
• Molecular Formula: C6H10O3
• Molecular Weight: 130.144
• Hs Code.: 2918990090
• European Community (EC) Number: 853-795-9
• DSSTox Substance ID: DTXSID30465683
• Wikidata: Q82291832
• Mol file: 246869-08-9.mol

Synonyms:2-(cyclopropylmethoxy)acetic Acid;246869-08-9;(cyclopropylmethoxy)acetic acid;2-(Cyclopropylmethoxy)-acetic Acid;2-(Cyclopropylmethoxy-d4)-aceticAcid;cyclopropylmethoxyacetic acid;Cyclopropylmethoxy-acetic acid;SCHEMBL937100;2-(cyclopropylmethoxy)aceticAcid;DTXSID30465683;IUWMURBOFGBWBO-UHFFFAOYSA-N;MFCD11136573;AKOS000220982;PS-18123;CS-0216339;FT-0665397;EN300-40012;Z332379290

Chemical Property of 2-(cyclopropylmethoxy)acetic Acid

Chemical Property:

• Boiling Point: 267.1±13.0 °C(Predicted)
• PKA: 3.51±0.10(Predicted)
• PSA: 46.53000
• Density: 1.201±0.06 g/cm3(Predicted)
• LogP: 0.49760
• Solubility.: Acetone, Dichloromethane, Methanol
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 130.062994177
• Heavy Atom Count: 9
• Complexity: 107

Purity/Quality:

97% ^*data from raw suppliers

2-(Cyclopropylmethoxy)-aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1COCC(=O)O
• Uses: 2-(Cyclopropylmethoxy)-acetic Acid (cas# 246869-08-9) is a compound useful in organic synthesis.

Technology Process of 2-(cyclopropylmethoxy)acetic Acid

There total 2 articles about 2-(cyclopropylmethoxy)acetic 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: 90.0%

Cyclopropylmethanol (2516-33-8) + bromoacetic acid (79-08-3) → 2-(cyclopropylmethoxy)acetic acid (246869-08-9)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; at -5 - 5 ℃; for 18h; Temperature; Solvent;

Reference yield:

Cyclopropylmethanol (2516-33-8) + sodium monochloroacetic acid (3926-62-3) → 2-(cyclopropylmethoxy)acetic acid (246869-08-9)

Guidance literature:

With sodium hydride; In tetrahydrofuran;

DOI:10.1016/S0960-894X(99)00365-0

Reference yield: 97.0%

2-bromo-2-methyl-1-(4-(methylsulfonyl)phenyl-[13C6])propan-1-one + 2-(cyclopropylmethoxy)acetic acid (246869-08-9) → 2-methyl-1-(4-(methylsulfonyl)phenyl-[13C6])-1-oxopropan-2-yl 2-(cyclopropylmethoxy)acetate

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In ethanol; for 14h; Heating;

DOI:10.1002/jlcr.3842

upstream raw materials:

Cyclopropylmethanol

sodium monochloroacetic acid

bromoacetic acid

Downstream raw materials:

2-cyclopropylmethoxyacetic acid [1,1-dimethyl-2-(4-methanesulfonylphenyl)-2-oxoethyl]ester

3-(Cyclopropylmethoxy)-5.5-dimethyl-4-(4-(methylsulfonyl)phenyl)-5H-furan-2-one