27650-80-2

Basic information

• Product Name: 3-(2,4-DIMETHYL-PHENYL)-PROPAN-1-OL
• Synonyms: 3-(2,4-DIMETHYL-PHENYL)-PROPAN-1-OL
• CAS NO: 27650-80-2
• Molecular Formula: C₁₁H₁₆O
• Molecular Weight: 164.24414
• Mol File: 27650-80-2.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 277.2°C at 760 mmHg
• Flash Point: 119.1°C
• Appearance: /
• Density: 0.972g/cm³
• Vapor Pressure: 0.00221mmHg at 25°C
• Refractive Index: 1.523
• PKA: 15.09±0.10(Predicted)
• CAS DataBase Reference: 3-(2,4-DIMETHYL-PHENYL)-PROPAN-1-OL(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(2,4-DIMETHYL-PHENYL)-PROPAN-1-OL(27650-80-2)
• EPA Substance Registry System: 3-(2,4-DIMETHYL-PHENYL)-PROPAN-1-OL(27650-80-2)

Safety Data

• Hazardous Substances Data: 27650-80-2(Hazardous Substances Data)

Usage

InChI:InChI=1/C11H16O/c1-9-5-6-11(4-3-7-12)10(2)8-9/h5-6,8,12H,3-4,7H2,1-2H3

Upstream product

• 162335-94-6 1,3,4,5-tetrahydro-8-methyl-2-benzoxepin 
• 5406-39-3 3-(4-methylphenyl)propanol 
• 180274-20-8 1-(3-Methoxymethoxy-propyl)-4-methyl-benzene 

Downstream Products

• 27645-10-9 1-(3-bromo-propyl)-2,4-dimethyl-benzene 
• 124244-00-4 3-(2,4-dimethylphenyl)propyl benzoate 
• 41496-45-1 3-(2’,4’-dimethyphenyl)propanal 
• 124244-06-0 3-(2,4,7-trimethylnaphthalen-1-yl)propyl benzoate 
• 124244-05-9 3-(5,6-dihydro-2,4,7-trimethylnaphthalen-1-yl)propyl benzoate 
• 124244-10-6 3-(5,6,7,8-tetrahydro-2,4-dimethyl-8-oxonaphthalen-1-yl)propyl benzoate 
• 124244-03-7 3-(5,6,7,8-tetrahydro-2,4,7-trimethyl-8-oxonaphthalen-1-yl)propyl benzoate 
• 124244-04-8 3-(5,6,7,8-tetrahydro-8-hydroxy-2,4,7-trimethylnaphthalenyl)propyl benzoate 
• 124266-46-2 4-<2,4-dimethyl-5-<3-(benzoyloxy)propyl>phenyl>-4-oxobutyric acid 
• 124244-09-3 4-<2,4-dimethyl-5-<3-(benzoyloxy)propyl>phenyl>butyric acid 
• 124244-01-5 4-<2,4-dimethyl-5-<3-(benzoyloxy)propyl>phenyl>-4-oxo-2-methylbutyric acid 
• 124244-02-6 4-<2,4-dimethyl-5-<3-(benzoyloxy)propyl>phenyl>-2-methylbutyric acid 
• 1057672-52-2 4-(2,4-dimethyl-phenyl)-butyronitrile 
• 854427-17-1 4-(2,4-dimethyl-phenyl)-butyric acid amide 

Relevant articles and documents

5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES

The invention relates to 5,6,7,8-tetrahydro-imidazo[1,5-a]pyrazine derivatives of formula (I),wherein X represents CH2 or O; R1 represents a phenyl group, which group is independently mono-, di-, or tri-substituted wherein the substituents are independently selected from the group consisting of (C1-4)alkyl, (C1-4)alkoxy, halogen, cyano, trifluoromethoxy and trifluoromethyl; R2 represents (C1-4)alkyl, (C1-4)alkoxy, (C2-4)alkenyl, halogen, cyano, hydroxymethyl, trifluoromethyl, C(O)NR5R6 or cyclopropyl; R3 represents (C1-4)alkyl, (C1-4)alkoxy-methyl or halogen; R4 represents (C1-4)alkyl; R5 represents hydrogen or (C1-4)alkyl; and R6 represents hydrogen or (C1-4)alkyl. The invention also relates to pharmaceutically acceptable salts of such compounds; and to the use of such compounds as medicaments; especially as orexin receptor antagonists.

96. Synthesis of 1,3,4,5-tetrahydro-2-benzoxepin derivatives as conformationally restricted analogues of cyclamenaldehyde-type compounds and as intermediates for highly odour-active homologues

Nine 1,3,4,5-tetrahydro-2-benzoxepin derivatives have been prepared as mimics of the folded (gauche) conformation of cyclamenaldehyde (1) and related compounds, but none of them showed the typical lily-of-the valley (muguet) odour activity. However, conversion of these substances to previously unknown analogues of 1 having a Me substituent on the aromatic ring in an ortho position to the side chain led to new fragrance substances with remarkable properties. The results indicate that the extended (anti) conformation is more likely to be the 'bioactive' one at the receptor site(s).