304854-36-2

Basic information

• Product Name: 6-(3-METHOXYPHENYL)-4,4-DIMETHYL-1H-BENZO[D][1,3]OXAZIN-2(4H)-ONE
• Synonyms: 6-(3-METHOXYPHENYL)-4,4-DIMETHYL-1H-BENZO[D][1,3]OXAZIN-2(4H)-ONE
• CAS NO: 304854-36-2
• Molecular Formula: C₁₇H₁₇NO₃
• Molecular Weight: 283.32
• Mol File: 304854-36-2.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 383.0±42.0 °C(Predicted)
• Appearance: /
• Density: 1.144±0.06 g/cm3(Predicted)
• PKA: 13.32±0.40(Predicted)
• CAS DataBase Reference: 6-(3-METHOXYPHENYL)-4,4-DIMETHYL-1H-BENZO[D][1,3]OXAZIN-2(4H)-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 6-(3-METHOXYPHENYL)-4,4-DIMETHYL-1H-BENZO[D][1,3]OXAZIN-2(4H)-ONE(304854-36-2)
• EPA Substance Registry System: 6-(3-METHOXYPHENYL)-4,4-DIMETHYL-1H-BENZO[D][1,3]OXAZIN-2(4H)-ONE(304854-36-2)

Safety Data

• Hazardous Substances Data: 304854-36-2(Hazardous Substances Data)

Upstream product

• 10365-98-7 3-methoxyphenylboronic acid 
• 21440-97-1 brofoxine 
• 304853-89-2 2-(2-amino-5-bromophenyl)-propan-2-ol 

Relevant articles and documents

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.

Cyclocarbamate derivatives as progesterone receptor modulators

This invention provides compounds of Formula (I): wherein R1 and R2 may be single substituents or fused to form spirocyclic or hetero-spirocyclic rings; R3 is H, OH, NH2, C1 to C6 alkyl, substituted C1 to C6 alkyl, C3 to C6 alkenyl, substituted C1 to C6 alkenyl, alkynyl, or substituted alkynyl, CORC; RC is H, C1 to C3 alkyl, substituted C1 to C3 alkyl, aryl, substituted aryl, C1 to C3 alkoxy, substituted C1 to C3 alkoxy, C1 to C3 aminoalkyl, or substituted C1 to C3 aminoalkyl; R4 is H, halogen, CN, NO2, C1 to C6 alkyl, substituted C1 to C6 alkyl, alkynyl, or substituted alkynyl, C1 to C6 alkoxy, substituted C1 to C6 alkoxy, amino, C1 to C6 aminoalkyl, or substituted C1 to C6 aminoalkyl; and R5 is selected from a trisubstituted benzene ring of a five or six membered ring with 1, 2, or 3 heteroatoms from the group including O, S, SO, SO2 or NR6 and containing one or two independent substituents from the group including H, halogen, CN, NO2, amino, and C1 to C3 alky, C1 to C3 alkoxy, C1 to C3 aminoalkyl, CORF, or NRGCORF; or pharmaceutically acceptable salt thereof, as well as pharmaceutical compositions and methods using the compounds as antagonists of the progesterone receptor.