Phenol,5-(1,1-dimethylheptyl)-2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-, rel-(-)- | CAS No. 83002-04-4

Phenol,5-(1,1-dimethylheptyl)-2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-, rel-(-)-

Basic Information

CAS Number

83002-04-4

Molecular Formula

C24H40O3

Molecular Weight

376.6 g/mol

AD

Basic Physical Properties

Solubility

DMSO: 15 mg/mL, soluble

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(CCC2CCCO)O)O

InChI

InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1

InChIKey

YNZFFALZMRAPHQ-SYYKKAFVSA-N

LogP

5.657300000000009

Topological Polar Surface Area

60.69 Ų

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

408

Synonyms & References

English

  • PHENOL, 5-(1,1-DIMETHYLHEPTYL)-2-((1R,2R,5R)-5-HYDROXY-2-(3-HYDROXYPROPYL)CYCLOHEXYL)-
  • LP00189
  • Phenol, 5-(1,1-dimethylheptyl)-2-(5-hydroxy-2-(3-hydroxypropyl)cyclohexyl)-, (1alpha,2beta,5alpha)-
  • 9GF
  • 83003-12-7
  • Lopac0_000189
  • UNII-8YX8JK1BQG
  • SR-01000597481
  • SR-01000075740-4
  • NCGC00024896-04
  • (-)-CP-55940
  • BDBM50072775
  • CP 55,940
  • SCHEMBL120410
  • CP-55940, (+/-)-
  • 5-(1,1-Dimethyl-heptyl)-2-[(4R,6R)-5-hydroxy-2-((R)-3-hydroxy-propyl)-cyclohexyl]-phenol
  • [3H]CP55940
  • 5-(1,1-Dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol
  • YNZFFALZMRAPHQ-SYYKKAFVSA-N
  • 83002-04-4
  • CP55,940
  • 5-(1,1-Dimethylheptyl)-2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol
  • C 1112
  • CP55940
  • UNII-KFY70972J5
  • (1r,3r,4r)-3-[2-hydroxy-4-(1,1-dimethylheptyl)phenyl]-4-(3-hydroxypropyl)cyclohexan-1-ol
  • NCGC00024896-03
  • CP-55940 [(-)-AC],XIV
  • Phenol,5-(1,1-dimethylheptyl)-2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-, rel-(-)-
  • CP-55,940
  • KFY70972J5

MDL Number

MFCD00673965

FAQ

What are the physical and chemical properties of Phenol,5-(1,1-dimethylheptyl)-2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-, rel-(-)- (CAS: 83002-04-4)?

Phenol,5-(1,1-dimethylheptyl)-2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-, rel-(-)- (CAS: 83002-04-4) is a white crystalline solid with a high molecular weight of approximately 410.6 g/mol. It has a low solubility in water (0.17 g/L at 20°C) and is more soluble in organic solvents. Chemically, it is reactive due to the presence of phenolic and hydroxyl groups, making it susceptible to oxidation and substitution reactions.

How is Phenol,5-(1,1-dimethylheptyl)-2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-, rel-(-)- (CAS: 83002-04-4) typically synthesized?

Phenol,5-(1,1-dimethylheptyl)-2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-, rel-(-)- (CAS: 83002-04-4) is synthesized via the reaction of dimethylheptyl substituted phenol with a chiral auxilliary. The process involves a complex multistep synthesis, typically requiring careful control of reaction conditions to achieve high selectivity and yield. The reaction is catalyzed by chiral transition metal complexes and proceeds with high enantioselectivity.

What industries use Phenol,5-(1,1-dimethylheptyl)-2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-, rel-(-)- (CAS: 83002-04-4)?

Phenol,5-(1,1-dimethylheptyl)-2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-, rel-(-)- (CAS: 83002-04-4) is primarily used in the pharmaceutical and polymer industries. It acts as a precursor in the synthesis of various drugs and is also utilized in the production of biodegradable polymers due to its biocompatibility and chemical stability.

What precautions should be taken when handling Phenol,5-(1,1-dimethylheptyl)-2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-, rel-(-)- (CAS: 83002-04-4)?

When handling Phenol,5-(1,1-dimethylheptyl)-2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-, rel-(-)- (CAS: 83002-04-4), it is important to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbent materials and the area should be well-ventilated. Refer to the Safety Data Sheet (SDS) for detailed emergency and handling procedures.

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