Tachysterol 3

Base Information

• Chemical Name: Tachysterol 3
• CAS No.: 17592-07-3
• Deprecated CAS: 76189-23-6
• Molecular Formula: C27H44 O
• Molecular Weight: 384.646
• European Community (EC) Number: 241-561-3
• UNII: 6RR0I9PK8W
• DSSTox Substance ID: DTXSID301317912
• Nikkaji Number: J13.964E,J16.363E
• Wikidata: Q27265389
• Metabolomics Workbench ID: 35772
• Mol file: 17592-07-3.mol

Synonyms:(3beta,6Z)-9,10-secocholesta-5(10),6,8-trien-3-ol;(3S,6E)-9,10-Secocholesta-5(10),6,8-trien-3-ol;(3S,6Z)-9,10-secocholesta-5(10),6,8-trien-3-ol;1,25-dihydroxy-3-epi-19-nor-previtamin D3;14-epi-19-nortachysterol;precalciferol;precholecalciferol;previtamin D(3);previtamin D(3), (3alpha,6Z)-isomer;previtamin D(3), (3beta,6E)-isomer;previtamin D3;tachysterol 3;tachysterol(3);tachysterol3

Chemical Property of Tachysterol 3

Chemical Property:

• Boiling Point: 496°Cat760mmHg
• PKA: 14.84±0.60(Predicted)
• Flash Point: 214.1°C
• PSA: 20.23000
• Density: 1.017g/cm³
• LogP: 7.61900
• XLogP3: 7.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 384.339216023
• Heavy Atom Count: 28
• Complexity: 622

Purity/Quality:

98%Min ^*data from raw suppliers

Tachysterol3(80%) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(CC(CC1)O)C=CC2=CCCC3(C2CCC3C(C)CCCC(C)C)C
• Isomeric SMILES: CC1=C(C[C@H](CC1)O)/C=C/C2=CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C
• Recent EU Clinical Trials: CLINICAL TRIAL FOR THE ADMINISTRATION OF PREOPERATIVE VITAMIN D AS PREVENTION IN TRANSITORY HYPOCALCEMIA IN POSTOPERATORY OF TOTAL THYROIDECTOMY
• Uses: Tachysterol3 is a bioactive, synthetic vitamin D3 analog.

Technology Process of Tachysterol 3

There total 27 articles about Tachysterol 3 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: 20.0%

7-dehydrocholesterol (434-16-2) → previtamin D3 (1173-13-3) + lumisterol3 (434-16-2,5226-01-7,10346-43-7,10346-44-8,57651-84-0,117605-68-2) + tachysterol3 (1173-13-3,17592-07-3,24945-46-8,57651-22-6)

Guidance literature:

In various solvent(s); for 0.916667h; Product distribution; Irradiation;

DOI:10.1039/P29910000523

Reference yield:

previtamin D3 (1173-13-3) → 7-dehydrocholesterol (434-16-2) + Lumisterol3 (5226-01-7) + tachysterol3 (1173-13-3,17592-07-3,24945-46-8,57651-22-6)

Guidance literature:

Quantum yield; Irradiation; 302.5 and 254 nm;

DOI:10.1016/S0040-4039(01)82052-9

Reference yield:

previtamin D3 (1173-13-3) → tachysterol3 (17592-07-3)

Guidance literature:

In diethyl ether; at 0 ℃; Quantum yield; Irradiation;

DOI:10.1021/ja00022a025 DOI:10.1021/ja00385a037

upstream raw materials:

7-dehydrocholesterol

previtamin D₃

diethyl ether

iodine

Downstream raw materials:

(3S,5E,7E,10S)-9,10-seco-cholesta-5,7-dien-3-ol

7-dehydrocholesterol

previtamin D₃

vitamin D₃

Refernces

• 1、 Dauben,Disanayaka,Funhoff,Kohler,Schilke,Zhou. "Polyene 21A(g) and 11B(u) states and the photochemistry of previtamin D3". . p. 8367 - 3874. Retrieved 1991.
• 2、 Niki, Misaki,Hirata, Yushi,Nakazaki, Atsuo,Wu, Jing,Kawagishi, Hirokazu,Nishikawa, Toshio. "Biomimetic Synthesis of Chaxine and its Related Compounds". . p. 4848 - 4860. Retrieved 2020/05/08.
• 3、 Schultz, Forrest S.,Anderson, Marc A.. "Effects of surface adsorption and confinement on the photochemical selectivity of previtamin D3 adsorbed within porous sol-gel derived alumina". . p. 4933 - 4940. Retrieved 2007/10/03.