2-Amino-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carbonitrile

Base Information

• Chemical Name: 2-Amino-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carbonitrile
• CAS No.: 150986-82-6
• Molecular Formula: C8H8 N2 O S
• Molecular Weight: 180.23
• Hs Code.: 2934999090
• European Community (EC) Number: 802-750-1
• DSSTox Substance ID: DTXSID80353283
• Nikkaji Number: J1.568.726F
• Wikidata: Q82130770
• Mol file: 150986-82-6.mol

Synonyms:150986-82-6;2-Amino-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carbonitrile;2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carbonitrile;2-amino-4H,5H,7H-thieno[2,3-c]pyran-3-carbonitrile;2-Amino-3-cyano-4,7-dihydro-5H-thieno[2,3-c]pyran;5H-THIENO[2,3-C]PYRAN-3-CARBONITRILE, 2-AMINO-4,7-DIHYDRO-;BAS 02709882;SCHEMBL621181;DTXSID80353283;XCCSOSJCWRZLPA-UHFFFAOYSA-N;MFCD00221038;AKOS000649763;AB04946;BB 0259891;CS-0069627;FT-0691536;F87139;3W-0346;A809096;J-507899;2-Amino-3-cyano-4,7-dihydro-5H-thieno [2,3-c]pyran;2-azanyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carbonitrile;2-amino-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carbonitrile, AldrichCPR

Chemical Property of 2-Amino-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carbonitrile

Chemical Property:

• Vapor Pressure: 9.3E-08mmHg at 25°C
• Melting Point: 225-227°C
• Boiling Point: 434.7°Cat760mmHg
• PKA: -0.18±0.20(Predicted)
• Flash Point: 216.7°C
• PSA: 87.28000
• Density: 1.39g/cm³
• LogP: 1.85588
• Storage Temp.: 2-8°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 180.03573406
• Heavy Atom Count: 12
• Complexity: 224

Purity/Quality:

97% ^*data from raw suppliers

2-Amino-4,7-dihydro-5h-thieno[2,3-c]pyran-3-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCC2=C1C(=C(S2)N)C#N

Technology Process of 2-Amino-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carbonitrile

There total 4 articles about 2-Amino-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carbonitrile 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-amino-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carbonitrile (150986-82-6)

Guidance literature:

Reference yield: 78.0%

Tetrahydro-4H-pyran-4-one (29943-42-8,143562-54-3) + malononitrile (109-77-3) → 2-amino-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carbonitrile (150986-82-6)

Guidance literature:

With sulfur; triethylamine; In ethanol; Reflux; Inert atmosphere;

Reference yield:

2-(tetrahydro-4H-pyran-4-ylidene)malononitrile (62702-83-4) → 2-amino-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carbonitrile (150986-82-6)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; sulfur; In water; at 20 ℃; for 5h;

DOI:10.3906/kim-1309-38

upstream raw materials:

Tetrahydro-4H-pyran-4-one

malononitrile

2-(tetrahydro-4H-pyran-4-ylidene)malononitrile

Downstream raw materials:

N-benzoyl-N'-(3-cyano-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)thiourea

N-(3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyran-2-ylcarbamoyl)benzamide