304853-36-9

Basic information

• Product Name: 3-(4,4-DIMETHYL-2-OXO-2,4-DIHYDRO-1H-BENZO[D][1,3]OXAZIN-6-YL)BENZONITRILE
• Synonyms: 3-(4,4-DIMETHYL-2-OXO-2,4-DIHYDRO-1H-BENZO[D][1,3]OXAZIN-6-YL)BENZONITRILE
• CAS NO: 304853-36-9
• Molecular Formula: C₁₇H₁₄N₂O₂
• Molecular Weight: 278.31
• Mol File: 304853-36-9.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 409.0±45.0 °C(Predicted)
• Appearance: /
• Density: 1.28±0.1 g/cm3(Predicted)
• PKA: 13.18±0.40(Predicted)
• CAS DataBase Reference: 3-(4,4-DIMETHYL-2-OXO-2,4-DIHYDRO-1H-BENZO[D][1,3]OXAZIN-6-YL)BENZONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(4,4-DIMETHYL-2-OXO-2,4-DIHYDRO-1H-BENZO[D][1,3]OXAZIN-6-YL)BENZONITRILE(304853-36-9)
• EPA Substance Registry System: 3-(4,4-DIMETHYL-2-OXO-2,4-DIHYDRO-1H-BENZO[D][1,3]OXAZIN-6-YL)BENZONITRILE(304853-36-9)

Safety Data

• Hazardous Substances Data: 304853-36-9(Hazardous Substances Data)

Usage

Chemical Structure

It consists of a benzene ring attached to a nitrile group.
It also contains a substituted oxazin ring.
The oxazin ring is further substituted with a dimethyl group and a ketone group.

Nature

Nitrogen-containing compound

Potential Applications

Pharmaceuticals:
Potential use as a drug intermediate
Research and development of new treatments
Scientific and Industrial Purposes:
Its structure and properties make it suitable for various scientific and industrial applications.

Further Research Needed

Specific uses and applications
Potential effects on health and the environment would require further investigation.

Upstream product

• 6952-59-6 3-cyanobromobenzene 
• 304853-90-5 (1,4-dihydro-4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-6-yl)boronic acid 
• 21440-97-1 brofoxine 
• 304853-89-2 2-(2-amino-5-bromophenyl)-propan-2-ol 

Downstream Products

• 305800-03-7 6-(3-Acetyl-phenyl)4,4-dimethyl-1,4-dihydro-benzo [d] [1,3]-oxazin-2-one 
• 305800-04-8 6-(3-Benzoyl-phenyl)4,4-dimethyl-1,4-dihydro-benzo[d] [1,3]-oxazin-2-one 

Relevant articles and documents

6-Aryl-1,4-dihydro-benzo[d][1,3]oxazin-2-ones: A novel class of potent, selective, and orally active nonsteroidal progesterone receptor antagonists

Novel 6-aryl-1,4-dihydro-benzo[d][1,3]oxazin-2-ones were synthesized and tested as progesterone receptor (PR) antagonists. These compounds were potent and showed good selectivity for PR over other steroid receptors such as the glucocorticoid and androgen receptors (e.g., greater than 80-fold selectivity at PR for 4h). Numerous 6-aryl benzoxazinones (e.g., 4h-j) were active orally in the uterine decidualization and component C3 assays in the rats. In these in vivo models, 4h had potencies comparable to mifepristone (1).

Cyclothiocarbamate derivatives as progesterone receptor modulators

The present invention provides compounds which are agonists of the progesterone receptor and have the structures: wherein R1and R2are independent substituents selected from the group of H, optionally substituted C1to C6alkyl, alkenyl, alkynyl, or alkynyl groups C3to C8cycloalkyl, aryl, substituted aryl, or heterocyclic groups, or CORAor NRBCORA; or R1and R2are fused to form an optionally substituted 3 to 8 membered Spiro cyclic alkyl or alkenyl ring or a Spiro cyclic ring containing one to three heteroatoms selected from O, S and N; RAis selected from H, amino, or optionally substituted C1to C3alkyl, aryl, C1to C3alkoxy, or C1to C3aminoalkyl groups; RBis H, C1to C3alkyl, or substituted C1to C3alkyl; R3is H, OH, NH2, CORC, or optionally substituted C1to C6alkyl, C3to C6alkenyl, or alkynyl groups; RCis selected from H or optionally substituted C1to C3alkyl, aryl, C1to C3alkoxy, or C1to C3aminoalkyl groups; Q1is S, NR7, or CR8R9; R5is an optionally trisubstituted benzene ring or an optionally substituted five or six membered heterocyclic ring with 1, 2, or 3 ring heteroatoms selected from the group of O, S, SO, SO2or NR6; or a pharmaceutically acceptable salt thereof, as well as methods of using these compounds for contraception and the treatment of progesterone-related maladies.