1-(3-nitropyridin-2-yl)pyrrolidine-2-carboxylic Acid

Base Information

• Chemical Name: 1-(3-nitropyridin-2-yl)pyrrolidine-2-carboxylic Acid
• CAS No.: 36976-98-4
• Molecular Formula: C₁₀H₁₁N₃O₄
• Molecular Weight: 237.215
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30377575
• ChEMBL ID: CHEMBL1349320
• Mol file: 36976-98-4.mol

Synonyms:36976-98-4;1-(3-nitropyridin-2-yl)pyrrolidine-2-carboxylic Acid;1-(3-nitro-2-pyridinyl)-2-pyrrolidinecarboxylic acid;1-(3-Nitropyridin-2-yl)-pyrrolidine-2-carboxylic acid;1-(3-Nitro-2-pyridinyl)-2-pyrrolidine-carboxylic acid;MLS000736480;(3-Nitropyridin-2-yl)proline;CHEMBL1349320;SCHEMBL11055247;DTXSID30377575;RQFITJCVQDONTL-UHFFFAOYSA-N;HMS2658N06;MFCD04124188;AKOS000141535;AKOS016339893;1-(3-NITROPYRIDIN-2-YL)PROLINE;SMR000338430;CS-0171066;FT-0679961;SR-01000307044;10W-0322;SR-01000307044-1;N-(3-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid

Chemical Property of 1-(3-nitropyridin-2-yl)pyrrolidine-2-carboxylic Acid

Chemical Property:

• Vapor Pressure: 1.38E-09mmHg at 25°C
• Melting Point: 144-146°C
• Refractive Index: 1.627
• Boiling Point: 468.7°Cat760mmHg
• Flash Point: 237.3°C
• PSA: 99.25000
• Density: 1.47g/cm³
• LogP: 1.63140
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 237.07495584
• Heavy Atom Count: 17
• Complexity: 317

Purity/Quality:

97% ^*data from raw suppliers

1-(3-Nitropyridin-2-yl)pyrrolidine-2-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(N(C1)C2=C(C=CC=N2)[N+](=O)[O-])C(=O)O

Technology Process of 1-(3-nitropyridin-2-yl)pyrrolidine-2-carboxylic Acid

There total 1 articles about 1-(3-nitropyridin-2-yl)pyrrolidine-2-carboxylic 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: 87.0%

2-Chloro-3-nitropyridine (5470-18-8,34515-82-7) + L-proline (147-85-3,25191-13-3,37159-97-0,4305-67-3,4607-28-7) → N-(3-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid (36976-98-4)

Guidance literature:

With triethylamine; In dimethyl sulfoxide; at 60 ℃; for 18h;

DOI:10.1021/jm00378a039

Reference yield: 56.0%

N-(3-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid (36976-98-4) → 6a,7,8,9-tetrahydropyrido<3,2-e>pyrrolo<1,2-a>pyrazin-6(5H)-one (91622-91-2)

Guidance literature:

With iron; acetic acid; at 60 - 65 ℃; for 3h;

DOI:10.1021/jm00378a039

Reference yield:

N-(3-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid (36976-98-4) → 5-<(2,6-dimethoxyphenyl)methyl>-6a,7,8,9-tetrahydropyrido<3,2-e>pyrrolo<1,2-a>pyrazine (91622-96-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 56 percent / glacial acetic acid, iron powder / 3 h / 60 - 65 °C

2: 1.) NaH / 1.) DMF, 2.) DMF, RT, 18 h

3: LiAlH₄ / diethyl ether; tetrahydrofuran / 18 h / Heating

With lithium aluminium tetrahydride; iron; sodium hydride; acetic acid; In tetrahydrofuran; diethyl ether;

DOI:10.1021/jm00378a039

upstream raw materials:

2-Chloro-3-nitropyridine

L-proline

Downstream raw materials:

6a,7,8,9-tetrahydropyrido<3,2-e>pyrrolo<1,2-a>pyrazin-6(5H)-one

6a,7,8,9-tetrahydro-5-(phenylmethyl)pyrido<3,2-a>pyrrolo<1,2-a>pyrazin-6(5H)-one

5,6,6a,7,8,9-hexahydropyrido[3,2-e]pyrrolo[1,2-a]pyrazine

5-<(2,6-dimethoxyphenyl)methyl>-6a,7,8,9-tetrahydropyrido<3,2-e>pyrrolo<1,2-a>pyrazine

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