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tert-Butyl P,P-dimethylphosphonoacetate - ≥97.0% (GC), high purity , CAS No.62327-21-3

COA

Grade & Purity:

≥97%(GC)

Cas Number: 62327-21-3
Molecular Weight: 224.19
Beilstein Registry Number: 4861886
MDL number: MFCD00042939
PubChem CID: 4564495

In stock

Item Number

T140220

Grouped product items
SKU	Size	Availability	Price
T140220-5ml	5ml	2	$30.90
T140220-10ml	10ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$54.90
T140220-25ml	25ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$89.90
T140220-100ml	100ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$321.90
T140220-500ml	500ml	1	$1,446.90

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Element classified compounds (2014) Phosphonic acids (146)

Basic Description

Synonyms	BCP24437 \| CS-W019393 \| tert-butyldimethylphosphonoacetate \| tert-Butyl P,P-dimethylphosphonoacetate \| SY045276 \| AKOS015900253 \| DTXSID00404307 \| SCHEMBL421908 \| Tert-butyl (dimethoxyphosphoryl)acetate \| tert-Butyl 2-(dimethoxyphosphoryl)acetate \| Tert-b
Specifications & Purity	≥97%(GC)
Shipped In	Normal
Product Description	Horner-Wittig reagent giving preferentially (E)-α,β-unsat. esters which are mildly saponified with acid. Synthesis of derivatives by reductive alkylation Reactant for: ·Preparation of phosphonate terminated PPH dendrimers as anti-HIV-1 agents ·Preparation of monodehydro diketopiperazines from ketoacyl amino acid amides via acid-catalyzed cyclization ·Preparation of α,β-unsaturated esters for use in the guanidine-catalyzed oxa-Michael addition ·Preparation of myxopyronin B and desmethyl myxopyronin B analogs, with antibacterial activity and inhibitory activity against bacterial RNA polymerase ·Allylation and subsequent ring-closing metathesis in presence of Grubbs′ catalyst or intramolecular rhodium-catalyzed cyclopropanation reactions

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Organic phosphonic acids and derivatives
    - Subclass Phosphonic acid diesters

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Organic phosphonic acids and derivatives
Subclass	Phosphonic acid diesters
Intermediate Tree Nodes	Not available
Direct Parent	Dialkyl alkylphosphonates
Alternative Parents	Phosphonic acid esters Carboxylic acid esters Monocarboxylic acids and derivatives Organophosphorus compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Dialkyl alkylphosphonate - Phosphonic acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as dialkyl alkylphosphonates. These are compounds containing a phosphonic acid that is diesterified with alkyl groups, and the phosphorus atom is also directly attached to an alkyl 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-dimethoxyphosphorylacetate
INCHI	InChI=1S/C8H17O5P/c1-8(2,3)13-7(9)6-14(10,11-4)12-5/h6H2,1-5H3
InChIKey	SAZYDWOWLRDDRQ-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)CP(=O)(OC)OC
Isomeric SMILES	CC(C)(C)OC(=O)CP(=O)(OC)OC
WGK Germany	3
PubChem CID	4564495
Molecular Weight	224.19
Beilstein	4861886

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number	Certificate Type	Date	Item
K2314232	Certificate of Analysis	Oct 25, 2023	T140220
K2314235	Certificate of Analysis	Oct 25, 2023	T140220
K2314233	Certificate of Analysis	Oct 25, 2023	T140220
K2314234	Certificate of Analysis	Oct 25, 2023	T140220
K2314236	Certificate of Analysis	Oct 25, 2023	T140220

Chemical and Physical Properties

Refractive Index	1.434
Flash Point(°F)	230 °F
Flash Point(°C)	110 °C
Boil Point(°C)	86-87 °C/0.02 mmHg(lit.)
Molecular Weight	224.190 g/mol
XLogP3	0.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	224.081 Da
Monoisotopic Mass	224.081 Da
Topological Polar Surface Area	61.800 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	235.000
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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