methyl 3-methyl-4-[[(2S)-pyrrolidin-2-yl]methoxy]benzoate

Base Information

Chemical Name:methyl 3-methyl-4-[[(2S)-pyrrolidin-2-yl]methoxy]benzoate
CAS No.:922529-32-6
Molecular Formula:C14H19NO3
Molecular Weight:249.30600
Hs Code.:
DSSTox Substance ID:DTXSID70582308
Wikidata:Q82473699

Synonyms:922529-32-6;methyl 3-methyl-4-[[(2S)-pyrrolidin-2-yl]methoxy]benzoate;Benzoic acid, 3-methyl-4-[(2S)-2-pyrrolidinylmethoxy]-, methyl ester;Methyl 3-methyl-4-{[(2S)-pyrrolidin-2-yl]methoxy}benzoate;DTXSID70582308;A1-05357

Suppliers and Price of methyl 3-methyl-4-[[(2S)-pyrrolidin-2-yl]methoxy]benzoate

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

Matrix Scientific
Methyl 3-methyl-4-[[(2S)-pyrrolidin-2-yl]methoxy]benzoate 95%
2.500g
$ 1816.00

Matrix Scientific
Methyl 3-methyl-4-[[(2S)-pyrrolidin-2-yl]methoxy]benzoate 95%
1g
$ 1156.00

A1 Biochem Labs
Methyl3-methyl-4-[[(2S)-pyrrolidin-2-yl]methoxy]benzoate 95%
1 g
$ 700.00

Total 0 raw suppliers

Chemical Property of methyl 3-methyl-4-[[(2S)-pyrrolidin-2-yl]methoxy]benzoate

Chemical Property:

PSA：47.56000
LogP:2.24120
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:249.13649347
Heavy Atom Count:18
Complexity:282

Purity/Quality:: Methyl 3-methyl-4-[[(2S)-pyrrolidin-2-yl]methoxy]benzoate 95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C=CC(=C1)C(=O)OC)OCC2CCCN2
Isomeric SMILES:CC1=C(C=CC(=C1)C(=O)OC)OC[C@@H]2CCCN2

Technology Process of methyl 3-methyl-4-[[(2S)-pyrrolidin-2-yl]methoxy]benzoate

There total 4 articles about methyl 3-methyl-4-[[(2S)-pyrrolidin-2-yl]methoxy]benzoate 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: 100.0%

: 922529-60-0
methyl 4-[1-(tert-butoxycarbonyl)-(2S)-pyrrolidinylmethoxy]-3-methylbenzoate

: 922529-32-6
methyl 3-methyl-4-[(2S)-pyrrolidinyl]methoxybenzoate

Guidance literature:: With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 12h;
DOI:10.1248/cpb.54.1515

Reference yield:

: 922529-57-5
4-[1-(tert-butoxycarbonyl)-(2S)-pyrrolidinylmethoxy]-1-iodo-3-methylbenzene

: 922529-32-6
methyl 3-methyl-4-[(2S)-pyrrolidinyl]methoxybenzoate

Guidance literature:: Multi-step reaction with 2 steps

1: 56 percent / Et₃N; Pd(OAc)2; 1,3-bis(diphenylphosphino)propane / dimethylsulfoxide / 48 h / 70 °C

2: 100 percent / TFA / CH₂Cl₂ / 12 h / 20 °C

With palladium diacetate; 1,3-bis-(diphenylphosphino)propane; triethylamine; trifluoroacetic acid; In dichloromethane; dimethyl sulfoxide;
DOI:10.1248/cpb.54.1515

Reference yield:

: 15761-39-4,59433-50-0
1-(tert-butoxycarbonyl)-L-proline

: 922529-32-6
methyl 3-methyl-4-[(2S)-pyrrolidinyl]methoxybenzoate

Guidance literature:: Multi-step reaction with 4 steps

1: 83 percent / BH₃*Me₂S / tetrahydrofuran / 1 h / Heating

2: 78 percent / Ph₃P; diisopropyl azodicarboxylate / tetrahydrofuran / 312 h / 70 °C

3: 56 percent / Et₃N; Pd(OAc)2; 1,3-bis(diphenylphosphino)propane / dimethylsulfoxide / 48 h / 70 °C

4: 100 percent / TFA / CH₂Cl₂ / 12 h / 20 °C

With palladium diacetate; di-isopropyl azodicarboxylate; dimethylsulfide borane complex; 1,3-bis-(diphenylphosphino)propane; triethylamine; triphenylphosphine; trifluoroacetic acid; In tetrahydrofuran; dichloromethane; dimethyl sulfoxide; 2: Mitsunobu reaction;
DOI:10.1248/cpb.54.1515