Methyl 4-({[(2S)-pyrrolidin-2-yl]methyl}amino)benzoate

Base Information

Chemical Name:Methyl 4-({[(2S)-pyrrolidin-2-yl]methyl}amino)benzoate
CAS No.:922529-22-4
Molecular Formula:C13H18N2O2
Molecular Weight:234.29400
Hs Code.:
DSSTox Substance ID:DTXSID30582304
Wikidata:Q82473695

Synonyms:922529-22-4;DTXSID30582304;Methyl 4-({[(2S)-pyrrolidin-2-yl]methyl}amino)benzoate

Suppliers and Price of Methyl 4-({[(2S)-pyrrolidin-2-yl]methyl}amino)benzoate

Supply Marketing:

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

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Chemical Property of Methyl 4-({[(2S)-pyrrolidin-2-yl]methyl}amino)benzoate

Chemical Property:

Boiling Point:387.5±17.0 °C(Predicted)
PSA：50.36000
Density:1.128±0.06 g/cm3(Predicted)
LogP:2.03890
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:234.136827821
Heavy Atom Count:17
Complexity:250

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)C1=CC=C(C=C1)NCC2CCCN2
Isomeric SMILES:COC(=O)C1=CC=C(C=C1)NC[C@@H]2CCCN2

Technology Process of Methyl 4-({[(2S)-pyrrolidin-2-yl]methyl}amino)benzoate

There total 4 articles about Methyl 4-({[(2S)-pyrrolidin-2-yl]methyl}amino)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: 88.0%

: 922529-38-2
methyl 4-[1-(tert-butoxycarbonyl)-(2S)-pyrrolidinyl]methylaminobenzoate

: 922529-22-4
methyl 4-[(2S)-pyrrolidinyl]methylaminobenzoate

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

Reference yield:

: (S)-2-{[(E)-4-Methoxycarbonyl-phenylimino]-methyl}-pyrrolidine-1-carboxylic acid tert-butyl ester

: 922529-22-4
methyl 4-[(2S)-pyrrolidinyl]methylaminobenzoate

Guidance literature:: Multi-step reaction with 2 steps

1: 2.17 g / NaBH₃CN; AcOH / methanol / 12 h / 20 °C

2: 88 percent / TFA / CH₂Cl₂ / 12 h / 20 °C

With sodium cyanoborohydride; acetic acid; trifluoroacetic acid; In methanol; dichloromethane;
DOI:10.1248/cpb.54.1515

Reference yield:

: 69610-41-9,117625-90-8
Boc-L-Pro-H

: 922529-22-4
methyl 4-[(2S)-pyrrolidinyl]methylaminobenzoate

Guidance literature:: Multi-step reaction with 3 steps

1: toluene / 3 h / Heating

2: 2.17 g / NaBH₃CN; AcOH / methanol / 12 h / 20 °C

3: 88 percent / TFA / CH₂Cl₂ / 12 h / 20 °C

With sodium cyanoborohydride; acetic acid; trifluoroacetic acid; In methanol; dichloromethane; toluene;
DOI:10.1248/cpb.54.1515