7,8-Dihydro-4H-thieno[3,2-b]azepin-5(6H)-one

Base Information

• Chemical Name: 7,8-Dihydro-4H-thieno[3,2-b]azepin-5(6H)-one
• CAS No.: 4751-61-5
• Molecular Formula: C8H9NOS
• Molecular Weight: 167.22800
• Hs Code.: 2934999090
• European Community (EC) Number: 827-870-1
• DSSTox Substance ID: DTXSID90357893
• Nikkaji Number: J948.589I
• Wikidata: Q82138071
• ChEMBL ID: CHEMBL1906655
• Mol file: 4751-61-5.mol

Synonyms:7,8-Dihydro-4H-thieno[3,2-b]azepin-5(6H)-one;4751-61-5;4H,5H,6H,7H,8H-thieno[3,2-b]azepin-5-one;4,6,7,8-TETRAHYDRO-THIENO[3,2-B]AZEPIN-5-ONE;4,6,7,8-tetrahydrothieno[3,2-b]azepin-5-one;SMR000111430;Cambridge id 5511393;MLS000107058;SCHEMBL3048551;CHEMBL1906655;DTXSID90357893;JCPGPXIPUOJEBQ-UHFFFAOYSA-N;HMS2477J15;MFCD00980799;ZB1036;AKOS006239055;DS-2950;FS-3790;CS-0078652;EN300-66095;A872131;4,6,7,8-tetrahydro-5H-thieno[3,2-b]azepin-5-one;5,6,7,8-tetra-hydro-4H-thieno[3,2-b]azepin-5-one;5,6,7,8-tetrahydro-4H-thieno[3 2-b]azepin-5-one;5,6,7,8-tetrahydro-4H-thieno[3,2-b]azepin-5-one;Z1033300692

Chemical Property of 7,8-Dihydro-4H-thieno[3,2-b]azepin-5(6H)-one

Chemical Property:

• PSA: 57.34000
• LogP: 2.16090
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 167.04048508
• Heavy Atom Count: 11
• Complexity: 172

Purity/Quality:

98%min ^*data from raw suppliers

7,8-Dihydro-4H-thieno[3,2-b]azepin-5(6H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C(C=CS2)NC(=O)C1
• Uses: 7,8-Dihydro-4H-thieno[3,2-b]azepin-5(6H)-one is a useful reactant for the preparation of N-?[4-?[(4,?5-?dihydropyrazolo[3,?4-?d]?thieno[3,?2-?b]?azep in-?6(2H)?-?yl)?carbonyl]?phenyl]?benzamides as arginine vasopressin (AVP) receptor antagonists.

Technology Process of 7,8-Dihydro-4H-thieno[3,2-b]azepin-5(6H)-one

There total 7 articles about 7,8-Dihydro-4H-thieno[3,2-b]azepin-5(6H)-one 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: 82.0%

2,3-Thiopheno-1,2-cyclohexanon-(3)-oxim-benzolsulfonat → 4,6,7,8-Tetrahydro-4H-thieno[3,2-b]azepin-5-one (4751-61-5)

Guidance literature:

With sodium acetate; In ethanol; for 12h; Heating;

DOI:10.3987/COM-98-8104

Reference yield: 60.0%

6,7-dihydro-5H-benzo[b]thiophene-4-one O-tosyloxime (94252-22-9) → 4,6,7,8-Tetrahydro-4H-thieno[3,2-b]azepin-5-one (4751-61-5)

Guidance literature:

With potassium acetate; In ethanol;

DOI:10.1016/S0960-894X(00)00084-6

Reference yield: 60.0%

4,5,6,7-tetrahydro-4-oxobenzo[b]thiophene oxime (19995-19-8,79222-03-0,79222-05-2) → 5,6,7,8-tetrahydro-4H-thieno[3,2-c]azepine-4-one (4751-59-1) + 4,6,7,8-Tetrahydro-4H-thieno[3,2-b]azepin-5-one (4751-61-5)

Guidance literature:

With phosphorus pentaoxide; methanesulfonic acid; at 100 - 110 ℃; for 5h;

DOI:10.3987/COM-98-8104

upstream raw materials:

4,5,6,7-tetrahydro-4-oxobenzo[b]thiophene oxime

6,7-dihydro-5H-benzo[b]thiophene-4-one O-tosyloxime

4-keto-4,5,6,7-tetrahydrothianaphthene

Downstream raw materials:

(3-Methoxy-4-nitro-phenyl)-(5,6,7,8-tetrahydro-thieno[3,2-b]azepin-4-yl)-methanone

5,6,7,8-tetra-hydro-4H-thieno[3,2-b]azepine

Refernces

• 1、 Albright, J. Donald,Santos, Efren G. Delos,Dusza, John P.,Chan, Peter S.,Coupet, Joseph,Ru, Xun,Mazandarani. "The synthesis and vasopressin (AVP) antagonist activity of a novel series of N-Aroyl-2,4,5,6-tetrahydropyrazolo-[3,4-d]thieno[3,2-b]azepines". . p. 695 - 698. Retrieved 2007/10/03.
• 2、 -. "Heterocyclic-fused lactams promote release of growth hormone". . . Retrieved 2008/06/13.