5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-2-ethylidene-8-hydroxy-7-methoxy-, (S-(E))-

Base Information

Chemical Name:5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-2-ethylidene-8-hydroxy-7-methoxy-, (S-(E))-
CAS No.:67731-61-7
Molecular Formula:C15H18N2O3
Molecular Weight:274.315
Hs Code.:
Wikidata:Q76387787

Synonyms:SEN 215;5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-2-ethylidene-8-hydroxy-7-methoxy-, (S-(E))-;67731-61-7;LS-139263

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-2-ethylidene-8-hydroxy-7-methoxy-, (S-(E))-

Chemical Property:

Vapor Pressure:9.4E-12mmHg at 25°C
Boiling Point:527.7°C at 760 mmHg
Flash Point:272.9°C
Density:1.32g/cm³
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:274.13174244
Heavy Atom Count:20
Complexity:423

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC=C1CC2CNC3=CC(=C(C=C3C(=O)N2C1)OC)O
Isomeric SMILES:C/C=C/1\C[C@H]2CNC3=CC(=C(C=C3C(=O)N2C1)OC)O

Technology Process of 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-2-ethylidene-8-hydroxy-7-methoxy-, (S-(E))-

There total 21 articles about 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-2-ethylidene-8-hydroxy-7-methoxy-, (S-(E))- 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: 83.0%

: 81422-30-2,28797-41-3
(E)-pretomaymycin

: 67731-61-7
SEN-215

Guidance literature:: With hydrogen cation; sodium cyanoborohydride; In methanol;
DOI:10.3987/R-1986-05-1257

Reference yield:

: 2426-87-1
3-methoxy-4-(phenylmethoxy)benzaldehyde

: 67731-61-7,105615-46-1,111058-79-8
sen-215

Guidance literature:: Multi-step reaction with 14 steps

1: Ag₂O

2: HNO₂

3: 62 percent / H₂ / 10percent Pd/C

4: 83 percent

5: 65 percent

6: 83 percent / oxalyl chloride

7: benzene / 12 h / Heating

8: p-TsOH

10: 23 percent / KH / tetrahydrofuran

11: 92 percent / K₂CO₃

12: 77 percent / PCC

13: 70 percent / t-BuOK / tetrahydrofuran

14: 1.) HCl conc., 2.) 10percent NaOH / 1.) EtOH, 2.) MeOH

With hydrogenchloride; sodium hydroxide; oxalyl dichloride; potassium tert-butylate; hydrogen; cis-nitrous acid; potassium hydride; potassium carbonate; toluene-4-sulfonic acid; pyridinium chlorochromate; silver(l) oxide; palladium on activated charcoal; In tetrahydrofuran; benzene;

Reference yield:

: 60547-92-4
4-(benzyloxy)-5-methoxy-2-nitrobenzoic acid

: 67731-61-7,105615-46-1,111058-79-8
sen-215

Guidance literature:: Multi-step reaction with 12 steps

1: 62 percent / H₂ / 10percent Pd/C

2: 83 percent

3: 65 percent

4: 83 percent / oxalyl chloride

5: benzene / 12 h / Heating

6: p-TsOH

8: 23 percent / KH / tetrahydrofuran

9: 92 percent / K₂CO₃

10: 77 percent / PCC

11: 70 percent / t-BuOK / tetrahydrofuran

12: 1.) HCl conc., 2.) 10percent NaOH / 1.) EtOH, 2.) MeOH

With hydrogenchloride; sodium hydroxide; oxalyl dichloride; potassium tert-butylate; hydrogen; potassium hydride; potassium carbonate; toluene-4-sulfonic acid; pyridinium chlorochromate; palladium on activated charcoal; In tetrahydrofuran; benzene;