tert-butyl 2-amino-3-cyano-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate

Base Information

• Chemical Name: tert-butyl 2-amino-3-cyano-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate
• CAS No.: 150986-83-7
• Molecular Formula: C13H17 N3 O2 S
• Molecular Weight: 279.363
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90377177
• Wikidata: Q82166281
• ChEMBL ID: CHEMBL595295
• Mol file: 150986-83-7.mol

Synonyms:150986-83-7;tert-butyl 2-amino-3-cyano-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate;tert-Butyl 2-amino-3-cyano-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate;tert-butyl 2-amino-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;CHEMBL595295;2-amino-6-Boc-3-cyano-4,7-dihydro-5H-thieno[2,3-c]pyridine;TERT-BUTYL 2-AMINO-3-CYANO-4H,5H,6H,7H-THIENO[2,3-C]PYRIDINE-6-CARBOXYLATE;2-AMINO-3-CYANO-4,7-DIHYDRO-5H-THIENO[2,3-C]PYRIDINE-6-CARBOXYLIC ACID TERT-BUTYL ESTER;2-AMINO-6-BOC-3-CYANO-4,5-DIHYDROTHIENO[2,3-C]PYRIDINE;tert-Butyl 2-amino-3-cyano-4,7-dihydrothieno-[2,3-c]pyridine-6(5H)-carboxylate;SCHEMBL2643671;DTXSID90377177;HMS1772A04;BDBM50304475;MFCD05664037;AKOS001219486;FT-0680339;EN300-23852;3Y-0701;A809097;J-524429;F2145-0699;Z166623048;2-amino-3-cyano-4,7-dihydro-5H-thieno[2,3-c]pyridine-6-carboxylic acid tertbutyl ester;2-amino-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid tert-butyl ester;tert-butyl 2-azanyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-Butyl2-amino-3-cyano-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate;Tert-butyl2-amino-3-cyano-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate;2-amino-3-cyano-4,7-dihydro-thieno[2,3-c]pyridine-6(5H)-carboxylic acid 1,1-dimethylethyl ester

Chemical Property of tert-butyl 2-amino-3-cyano-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate

Chemical Property:

• Vapor Pressure: 3.22E-09mmHg at 25°C
• Melting Point: 193-195°C
• Refractive Index: 1.601
• Boiling Point: 475.8°Cat760mmHg
• PKA: -0.34±0.20(Predicted)
• Flash Point: 241.6°C
• PSA: 107.59000
• Density: 1.29g/cm³
• LogP: 3.01428
• Storage Temp.: 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 279.10414797
• Heavy Atom Count: 19
• Complexity: 412

Purity/Quality:

99%, ^*data from raw suppliers

2-Amino-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile, N6-Boc protected ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCC2=C(C1)SC(=C2C#N)N
• Uses: Tert-butyl 2-amino-3-cyano-4,7-dihydrothieno[2,3-c]pyridine-6(5h)-carboxylate is used as a reactant in the preparation of cyanotetrahydrobenzothienylamides as inhibitors of JNK2 and JNK3.

Technology Process of tert-butyl 2-amino-3-cyano-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate

There total 5 articles about tert-butyl 2-amino-3-cyano-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate 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: 98.0%

N-tert-butyloxycarbonylpiperidin-4-one (79099-07-3) + malononitrile (109-77-3) → 2-amino-3-cyano-4,7-dihydro-5H-thieno[2,3-c]pyridine-6-carboxylic acid tert-butyl ester (150986-83-7)

Guidance literature:

With sulfur; L-proline; In N,N-dimethyl-formamide; at 60 ℃; for 10h;

DOI:10.1055/s-0029-1219917

Reference yield:

3-oxo-piperidine-1-carboxylic acid tert-butyl ester (98977-36-7) + malononitrile (109-77-3) → 2-amino-3-cyano-4,7-dihydro-5H-thieno[2,3-c]pyridine-6-carboxylic acid tert-butyl ester (150986-83-7)

Guidance literature:

With morpholine; sulfur; In ethanol; at 60 ℃;

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) → 2-amino-3-cyano-4,7-dihydro-5H-thieno[2,3-c]pyridine-6-carboxylic acid tert-butyl ester (150986-83-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 1,4-dioxane; triethylamine / water / 20 °C

2: sulfur; morpholine / ethanol / 2 h / Reflux

With morpholine; 1,4-dioxane; sulfur; triethylamine; In ethanol; water; 2: |Gewald Aminoheterocycles Synthesis;

DOI:10.1016/j.ejmech.2013.05.013

upstream raw materials:

N-tert-butyloxycarbonylpiperidin-4-one

malononitrile

di-tert-butyl dicarbonate

4-piperidone hydrochloride

Downstream raw materials:

ClH*C₁₉H₁₈Cl₂N₄O₄S₂

N-(6-benzyl-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2,4-dichloro-5-(morpholinosulfonyl)benzamide

N-(6-benzoyl-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2,4-dichloro-5-(morpholinosulfonyl)benzamide

2,4-dichloro-N-(3-cyano-6-(3,4-dihydroxybenzyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-5-(morpholinosulfonyl)benzamide

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