tert-Butyl 2-(Dimethoxyphosphoryl)acetate

Basic Information

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CAS Number

62327-21-3

Molecular Formula

C8H17O5P

Molecular Weight

224.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Agricultural Chemicals Pesticides Insecticides

Basic Physical Properties

Boiling Point

86-87 °C/0.02 mmHg

Density

1.131 g/mL at 20 °C

Refractive Index

n20/D 1.434

SMILES

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CC(C)(C)OC(=O)CP(=O)(OC)OC

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

LogP

1.8139999999999998

Topological Polar Surface Area

61.830000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

235

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

tert-butyl dimethylphosphonoacetate
Dimethyl [(tert-Butoxycarbonyl)methyl]phosphonate
SCHEMBL421908
O12106
62327-21-3
dimethyl t-butoxycarbonyl-methylphosphonate
FT-0717696
SAZYDWOWLRDDRQ-UHFFFAOYSA-N
Acetic acid, (dimethoxyphosphinyl)-, 1,1-dimethylethyl ester
AKOS015900253
tert-Butyl P,P-dimethylphosphonoacetate
Tert-butyl 2-dimethoxyphosphorylacetate
tert-butyldimethylphosphonoacetate
Tert-butyl (dimethoxyphosphoryl)acetate
Dimethyl (tert-Butoxycarbonylmethyl)phosphonate
BCP24437
A868504
dimethylphosphonoacetic acid tert-butyl ester
tert-Butyl (dimethoxyphosphinyl)acetate
tert-Butyl 2-(dimethoxyphosphoryl)acetate
tert-butyl dimethoxyphosphorylacetate
Dimethyl (Boc-methyl)phosphonate
tert-butyl P,P-Dimethyl phosphonoacetate
tert-Butyl O,O-dimethylphosphonoacetate
CS-W019393
tert-Butyl P,P-dimethylphosphonoacetate, >=97.0% (GC)
AS-64884
MFCD00042939
SY045276
tert-butyl(dimethoxyphosphoryl)acetate
DTXSID00404307

MDL Number

MFCD00042939

FAQ

What regulatory guidelines apply to tert-Butyl 2-(Dimethoxyphosphoryl)acetate (CAS: 62327-21-3)?

t-Bu2P(O)OEt (CAS 62327-21-3) must comply with REACH regulations in the EU, which require registration for substances above one tonne per year. In the US, it adheres to EPA regulations, and FDA guidelines for use in pharmaceuticals. GHS classification includes hazardous properties such as flammability and irritant potential.

Are there alternatives to tert-Butyl 2-(Dimethoxyphosphoryl)acetate (CAS: 62327-21-3) in synthesis?

Alternatives include other phosphoric esters like tert-Butyl 2-(methoxyphosphoryl)acetate or other acetic acid derivatives. Isomers or analogs like tert-Butyl 2-(ethoxyphosphoryl)acetate can also be considered, depending on specific synthesis requirements.

What is the market or research trend for tert-Butyl 2-(Dimethoxyphosphoryl)acetate (CAS: 62327-21-3)?

There is increasing interest in this compound for its use in organic synthesis, particularly in pharmaceutical and agrochemical industries. Research trends focus on its role as a protecting group and its potential in developing new drug candidates. Market trends show steady demand due to its application in customized synthesis pathways.

How should waste containing tert-Butyl 2-(Dimethoxyphosphoryl)acetate (CAS: 62327-21-3) be handled?

Waste containing t-Bu2P(O)OEt should be collected in appropriate containers and disposed of through professional chemical waste disposal services. Incineration is a common method if the waste is highly concentrated, and environmental protection measures should be taken to prevent soil and water contamination. Always follow local waste disposal regulations and safety guidelines.