133910-11-9

Basic information

• Product Name: 22-(3-(dimethylhydroxymethyl)phenyl)-23,24,25,26,27-pentanor-1-hydroxyvitamin D3
• Synonyms: 22-(3-(dimethylhydroxymethyl)phenyl)-23,24,25,26,27-pentanor-1-hydroxyvitamin D3
• CAS NO: 133910-11-9
• Molecular Formula: C₃₁H₄₄O₃
• Molecular Weight: 464.67926
• Mol File: 133910-11-9.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 620.1°Cat760mmHg
• Flash Point: 258.3°C
• Appearance: /
• Density: 1.11g/cm³
• Vapor Pressure: 3.1E-16mmHg at 25°C
• Refractive Index: 1.584
• PKA: 14.43±0.40(Predicted)
• CAS DataBase Reference: 22-(3-(dimethylhydroxymethyl)phenyl)-23,24,25,26,27-pentanor-1-hydroxyvitamin D3(CAS DataBase Reference)
• NIST Chemistry Reference: 22-(3-(dimethylhydroxymethyl)phenyl)-23,24,25,26,27-pentanor-1-hydroxyvitamin D3(133910-11-9)
• EPA Substance Registry System: 22-(3-(dimethylhydroxymethyl)phenyl)-23,24,25,26,27-pentanor-1-hydroxyvitamin D3(133910-11-9)

Safety Data

• Hazardous Substances Data: 133910-11-9(Hazardous Substances Data)

Usage

Main Properties

1. Chemical Name: 22-(3-(dimethylhydroxymethyl)phenyl)-23,24,25,26,27-pentanor-1-hydroxyvitamin D3
2. Derivative of: Vitamin D3
3. Modification Sites: Carbon atoms 22nd, 23rd, 24th, 25th, 26th, and 27th
4. Functional Group: Hydroxy group at the first carbon atom
5. Additional Group: Phenyl group with a dimethylhydroxymethyl substituent at the third carbon atom

Specific Content

1. 22nd Carbon Atom: Modified
2. 23rd Carbon Atom: Modified
3. 24th Carbon Atom: Modified
4. 25th Carbon Atom: Modified
5. 26th Carbon Atom: Modified
6. 27th Carbon Atom: Modified
7. First Carbon Atom: Hydroxy group
8. Third Carbon Atom: Phenyl group with a dimethylhydroxymethyl substituent

Explanation

This compound is a derivative of vitamin D3 with specific modifications at carbon atoms 22 through 27 and a hydroxy group at the first carbon atom.
The presence of a phenyl group with a dimethylhydroxymethyl substituent at the third carbon atom further characterizes its structure.
While it shares similarities with vitamin D3, its specific biological activities and medicinal properties require further research for a comprehensive understanding and potential applications.

InChI:InChI=1/C31H44O3/c1-20(16-22-8-6-10-25(17-22)30(3,4)34)27-13-14-28-23(9-7-15-31(27,28)5)11-12-24-18-26(32)19-29(33)21(24)2/h6,8,10-12,17,20,26-29,32-34H,2,7,9,13-16,18-19H2,1,3-5H3/b23-11+,24-12+/t20?,26-,27-,28+,29+,31-/m1/s1

Upstream product

• 618-51-9 3-Iodobenzoic acid 
• 133910-28-8 1α,3β-bis<(tert-butyldimethylsilyl)oxy>-22-<3-<1'-methyl-1'<(trimethylsilyl)oxy>ethyl>phenyl>-24-nor-9,10-secochola-5(10),8-dien-6-yne 
• 133910-25-5 22-<3-<1'-methyl-1'-<(trimethylsilyl)oxy>ethyl>phenyl>-de-A,B-24-norchol-8-enyl trifluoromethanesulfonate 
• 133910-21-1 22-<3-<1'-methyl-1'-<(trimethylsilyl)oxy>ethyl>phenyl>-de-A,B-24-norcholan-8-one 
• 133910-17-5 22-<3-<1'-methyl-1'-<(trimethylsilyl)oxy>ethyl>phenyl>-de-A,B-24-norcholan-8β-ol 
• 133910-13-1 3-<1'-methyl-1'-(trimethylsilyloxy)ethyl>iodobenzene 
• 102879-20-9 2-(3-iodophenyl)propan-2-ol 
• 14452-30-3 3'-iodoacetophenone 

Relevant articles and documents

Arocalciferols: Synthesis and biological evaluation of aromatic side-chain analogues of 1α,25-dihydroxyvitamin D31a

Aromatic side-chain analogues (arocalciferols 6-9) of the steroid hormone 1α,25-dihydroxyvitamin D3 (1) were synthesized and biologically evaluated. The analogues were prepared by coupling the vitamin D A-ring enyne 14 with the appropriate enol