Benzeneacetic acid,4-(2-oxiranylmethoxy)-, methyl ester

Base Information

Chemical Name:Benzeneacetic acid,4-(2-oxiranylmethoxy)-, methyl ester
CAS No.:72224-27-2
Molecular Formula:C12H14 O4
Molecular Weight:222.241
Hs Code.:
European Community (EC) Number:276-490-7
DSSTox Substance ID:DTXSID101266038
Nikkaji Number:J705.295B

Synonyms:Benzeneaceticacid, 4-(oxiranylmethoxy)-, methyl ester (9CI); Benzeneacetic acid,4-(oxiranylmethoxy)-, methyl ester, (?à)-

Suppliers and Price of Benzeneacetic acid,4-(2-oxiranylmethoxy)-, methyl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
4-(2-Oxiranylmethoxy)benzeneaceticAcidMethylEster
1g
$ 840.00

Total 3 raw suppliers

Chemical Property of Benzeneacetic acid,4-(2-oxiranylmethoxy)-, methyl ester

Chemical Property:

PSA：48.06000
LogP:1.17970
XLogP3:1.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:222.08920892
Heavy Atom Count:16
Complexity:233

Purity/Quality:

99% ^*data from raw suppliers

4-(2-Oxiranylmethoxy)benzeneaceticAcidMethylEster ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)CC1=CC=C(C=C1)OCC2CO2
Uses 4-(2-Oxiranylmethoxy)benzeneacetic Acid Methyl Ester is a reactant used in the preparation of non-peptidic propargylamines used as inhibitors of Lysine Specific Demethylase 1.

Technology Process of Benzeneacetic acid,4-(2-oxiranylmethoxy)-, methyl ester

There total 3 articles about Benzeneacetic acid,4-(2-oxiranylmethoxy)-, methyl ester 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: 58.0%

: 14199-15-6
Methyl 4-hydroxyphenylacetate

: 106-89-8,24969-06-0,13403-37-7
epichlorohydrin

: 72224-27-2
methyl (+/-)-4-[(oxiran-2-yl)methoxy]benzene acetate

Guidance literature:: With potassium carbonate; In acetone; at 120 ℃; for 0.25h; Microwave irradiation; Sealed tube;
DOI:10.1021/jm400792m

Reference yield:

: 156-38-7
4-hydroxyphenylacetate

: 72224-27-2
methyl (+/-)-4-[(oxiran-2-yl)methoxy]benzene acetate

Guidance literature:: Multi-step reaction with 2 steps

1: conc. H₂SO₄, 3A molecular sieves / 72 h / Heating

2: K₂CO₃ / acetone / 20 h / Heating

With 3 A molecular sieve; sulfuric acid; potassium carbonate; In acetone;
DOI:10.1021/jm00354a003