HEXYLTRIPHENYLPHOSPHONIUM BROMIDE

The CAS register number of Phosphonium,hexyltriphenyl-, bromide (1:1) is 4762-26-9. It also can be called as 1-Hexyltriphenylphosphonium bromide and the IUPAC name about this chemical is hexyl(triphenyl)phosphanium bromide. The molecular formula about this chemical is C₂₄H₂₈BrP and the molecular weight is 427.36. It belongs to the following product categories which include Phosphonium Compounds; Synthetic Organic Chemistry; Wittig & Horner-Emmons Reaction; Wittig Reaction; Miscellaneous and so on.

Physical properties about Phosphonium,hexyltriphenyl-, bromide (1:1) are: (1)#Freely Rotating Bonds: 8; (2)Heavy Atom Count: 26; (3)Complexity: 300; (4)Covalently-Bonded Unit Count: 2.

Preparation: this chemical can be prepared by triphenylphosphane and 1-bromo-hexane. This reaction will need solvent of chlorobenzene.

Uses of Phosphonium,hexyltriphenyl-, bromide (1:1): it can be used to produce undec-5c-en-1-ol with 5-hydroxy-pentanal. This reaction will need reagent of KOtBu and solvent of tetrahydrofuran. The reaction time is 1 hour with reaction temperature of 50 °C. The yield is about 63%.

When you are using this chemical, please be cautious about it as the following:
This chemical is hygroscopic. It may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. If you want to use this chemical, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. It is stable under normal temperature and pressure. If you want to store it, you should keep the container tightly sealed in dry, cool places.

You can still convert the following datas into molecular structure:
(1)SMILES: [Br-].c1ccccc1[P+](c2ccccc2)(c3ccccc3)CCCCCC
(2)InChI: InChI=1/C24H28P.BrH/c1-2-3-4-14-21-25(22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24;/h5-13,15-20H,2-4,14,21H2,1H3;1H/q+1;/p-1
(3)InChIKey: PWDFZWZPWFYFTC-REWHXWOFAS
(4)Std. InChI: InChI=1S/C24H28P.BrH/c1-2-3-4-14-21-25(22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24;/h5-13,15-20H,2-4,14,21H2,1H3;1H/q+1;/p-1
(5)Std. InChIKey: PWDFZWZPWFYFTC-UHFFFAOYSA-M