Cyanomethylenetributylphosphorane - ≥95% , CAS No.157141-27-0

CAS: 157141-27-0 Cat. No.: C330920 Molecular Weight: 241.36 EC Number: 679-660-2

GRADE & PURITY ≥95%

Synonyms

2-tributylphosphoranylideneacetonitrile | Acetonitrile, (tributylphosphoranylidene)- | cyanomethylenetribuylphosphorane | SY025792 | A50071 | cyanomethylene tributyl phosphorane | DTXSID90404992 | OZMLUMPWPFZWTP-UHFFFAOYSA-N | Cyanomethylene)tributylphosp

Storage

Protected from light,Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Overview

General description：

(Tributylphosphoranylidene)acetonitrile or cyanomethylenetrimethylphosphorane (Bu3P=CHCN) is a Wittig reagent employed in the transformation of the carbonyl compounds, including aldehydes, esters, and lactones into the corresponding unsaturated nitriles.

Application：

(Tributylphosphoranylidene)acetonitrile can be utilized as a reagent in the:

• Stereoselective synthesis of skytanthine and other O- and N-containing heterocycles by Mitsunobu intramolecular cycloalkylation.

• Wittig olefination of esters, lactones, N-Boc lactam, and cyclic imide to corresponding Wittig products.

Specifications

Synonyms

2-tributylphosphoranylideneacetonitrile | Acetonitrile, (tributylphosphoranylidene)- | cyanomethylenetribuylphosphorane | SY025792 | A50071 | cyanomethylene tributyl phosphorane | DTXSID90404992 | OZMLUMPWPFZWTP-UHFFFAOYSA-N | Cyanomethylene)tributylphosp

Specifications & Purity

≥95%

Storage

Protected from light, Store at -20°C, Argon charged, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CCCCP(=CC#N)(CCCC)CCCC
• IUPAC Name: 2-(tributyl-λ5-phosphanylidene)acetonitrile
• InChIKey: OZMLUMPWPFZWTP-UHFFFAOYSA-N
• INCHI: 1S/C14H28NP/c1-4-7-11-16(14-10-15,12-8-5-2)13-9-6-3/h14H,4-9,11-13H2,1-3H3
• Isomeric SMILES: CCCCP(=CC#N)(CCCC)CCCC
• Molecular Weight: 241.36
• Reaxy-Rn: 6919233
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6919233&ln=

Chemical and Physical Properties

• Sensitivity: Light & Moisture & air sensitive
• Refractive Index: n20/D 1.500 (lit.)
• Boil Point(°C): 359.8° C
• Molecular Weight: 241.350 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 241.196 Da
• Monoisotopic Mass: 241.196 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 231.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1