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

Base Information

Chemical Name:methyl 3-nitro-4-[[(2S)-pyrrolidin-2-yl]methoxy]benzoate
CAS No.:922529-36-0
Molecular Formula:C₁₃H₁₆N₂O₅
Molecular Weight:280.28
Hs Code.:
DSSTox Substance ID:DTXSID00582311
Wikidata:Q82473703

Synonyms:922529-36-0;methyl 3-nitro-4-[[(2S)-pyrrolidin-2-yl]methoxy]benzoate;Benzoic acid, 3-nitro-4-[(2S)-2-pyrrolidinylmethoxy]-, methyl ester;Methyl 3-nitro-4-{[(2S)-pyrrolidin-2-yl]methoxy}benzoate;DTXSID00582311;A1-05358

Suppliers and Price of methyl 3-nitro-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-nitro-4-[[(2S)-pyrrolidin-2-yl]methoxy]benzoate 95%
2.500g
$ 1733.00

Matrix Scientific
Methyl 3-nitro-4-[[(2S)-pyrrolidin-2-yl]methoxy]benzoate 95%
1g
$ 1073.00

A1 Biochem Labs
Methyl3-nitro-4-[[(2S)-pyrrolidin-2-yl]methoxy]benzoate 95%
1 g
$ 650.00

Total 0 raw suppliers

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

Chemical Property:

PSA：93.38000
LogP:2.36420
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:280.10592162
Heavy Atom Count:20
Complexity:357

Purity/Quality:: Methyl 3-nitro-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:COC(=O)C1=CC(=C(C=C1)OCC2CCCN2)[N+](=O)[O-]
Isomeric SMILES:COC(=O)C1=CC(=C(C=C1)OC[C@@H]2CCCN2)[N+](=O)[O-]

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

There total 2 articles about methyl 3-nitro-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:

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

: 922529-36-0
methyl 3-nitro-4-[(2S)-pyrrolidinyl]methoxybenzoate

Guidance literature:: Multi-step reaction with 3 steps

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

2: 73 percent / Ph₃P; diisopropyl azodicarboxylate / tetrahydrofuran / 6.5 h / Heating

3: 94 percent / TFA / CH₂Cl₂ / 48 h / 20 °C

With di-isopropyl azodicarboxylate; dimethylsulfide borane complex; triphenylphosphine; trifluoroacetic acid; In tetrahydrofuran; dichloromethane; 2: Mitsunobu reaction;
DOI:10.1248/cpb.54.1515

Reference yield:

: 69610-40-8
N-(tert-butoxycarbonyl)-L-prolinol

: 922529-36-0
methyl 3-nitro-4-[(2S)-pyrrolidinyl]methoxybenzoate

Guidance literature:: Multi-step reaction with 2 steps

1: 73 percent / Ph₃P; diisopropyl azodicarboxylate / tetrahydrofuran / 6.5 h / Heating

2: 94 percent / TFA / CH₂Cl₂ / 48 h / 20 °C

With di-isopropyl azodicarboxylate; triphenylphosphine; trifluoroacetic acid; In tetrahydrofuran; dichloromethane; 1: Mitsunobu reaction;
DOI:10.1248/cpb.54.1515

Reference yield:

: 922529-36-0
methyl 3-nitro-4-[(2S)-pyrrolidinyl]methoxybenzoate

: 181519-21-1
3-methoxy-4-[N'-(2-methylphenyl)ureido]phenylacetic acid

: 922529-37-1
methyl 4-[1-[3-methoxy-4-[N-(2-methylphenyl)ureido]phenylacetyl]-(2S)-pyrrolidinyl]methoxy-3-nitrobenzoate

Guidance literature:: With dmap; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 20 ℃; for 12h;
DOI:10.1248/cpb.54.1515