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(tert-Butoxycarbonylmethylene)triphenylphosphorane - 98%, high purity , CAS No.35000-38-5

COA

Grade & Purity:

≥98%

Cas Number: 35000-38-5
Molecular Weight: 376.43
MDL number: MFCD00075545
PubChem CID: 256127

In stock

Item Number

I169778

Grouped product items
SKU	Size	Availability	Price
I169778-1g	1g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$20.90
I169778-5g	5g	3	$79.90
I169778-25g	25g	3	$256.90
I169778-100g	100g	3	$923.90
I169778-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$4,155.90

Basic Description

Synonyms	(tert.-butoxycarbonylmethylene)-triphenylphosphorane \| t-butyloxycarbonylmethylenetriphenylphosphorane \| AO-801/41077501 \| tert-Butyl(triphenylphosphoranylidene)acetate \| ZWZUFQPXYVYAFO-UHFFFAOYSA-N \| EC 412-880-7 \| Cholest-5-en-3-b-yl stearic acid \| (ter
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Wittig reagent used in the synthesis of aldose reductase inhibitors, a podophyllotoxin derivative,and tautomycin. Versatile Wittig reagent used in medicinal chemistry.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Phenylphosphines and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylphosphines and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Phenylphosphines and derivatives
Alternative Parents	Carboxylic acid esters Monocarboxylic acids and derivatives Organopnictogen compounds Organophosphorus compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Triphenylphosphine - Phenylphosphine - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylphosphines and derivatives. These are compounds containing a phenylphosphine, which consists of phosphine substituent bound to a phenyl group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	tert-butyl 2-(triphenyl-λ5-phosphanylidene)acetate
INCHI	InChI=1S/C24H25O2P/c1-24(2,3)26-23(25)19-27(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-19H,1-3H3
InChIKey	ZWZUFQPXYVYAFO-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
Isomeric SMILES	CC(C)(C)OC(=O)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
WGK Germany	3
Molecular Weight	376.43
Reaxy-Rn	2759875
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2759875&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
H1926184	Certificate of Analysis	Mar 17, 2023	I169778
L2206456	Certificate of Analysis	Sep 26, 2022	I169778
L2206466	Certificate of Analysis	Sep 26, 2022	I169778
L2206530	Certificate of Analysis	Sep 26, 2022	I169778
L2206457	Certificate of Analysis	Sep 26, 2022	I169778

Chemical and Physical Properties

Solubility	Sparingly soluble in water.
Melt Point(°C)	146-155℃
Molecular Weight	376.400 g/mol
XLogP3	5.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	376.159 Da
Monoisotopic Mass	376.159 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	475.000
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

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