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707-07-3

707-07-3 Structure

707-07-3 Structure
IdentificationMore
[Name]

Trimethyl orthobenzoate
[CAS]

707-07-3
[Synonyms]

TRIMETHYL-O-BENZOATE
TRIMETHYL ORTHOBENZOATE
(trimethoxymethyl)-benzen
(Trimethoxymethyl)benzene
Methyl orthobenzoate
Orthobenzoic acid, trimethyl ester
Thrimethyl orthobenzoate
Benzene, (trimethoxymethyl)-
à,à,à-trimethoxytoluene
Phenylorthoformic acid trimethyl ester
Phenyltrimethoxymethane
Trimethoxyphenylmethane
[EINECS(EC#)]

211-897-5
[Molecular Formula]

C10H14O3
[MDL Number]

MFCD00008474
[Molecular Weight]

182.22
[MOL File]

707-07-3.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless liquid
[Boiling point ]

87-88 °C/7 mmHg (lit.)
[density ]

1.061 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.489(lit.)
[Fp ]

180 °F
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

Soluble in organic solvents.
[form ]

Liquid
[color ]

Clear colorless
[Sensitive ]

Moisture Sensitive
[BRN ]

777623
[Stability:]

Hygroscopic
[InChI]

1S/C10H14O3/c1-11-10(12-2,13-3)9-7-5-4-6-8-9/h4-8H,1-3H3
[InChIKey]

IECKAVQTURBPON-UHFFFAOYSA-N
[SMILES]

COC(OC)(OC)c1ccccc1
[CAS DataBase Reference]

707-07-3(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzene, (trimethoxymethyl)-(707-07-3)
[EPA Substance Registry System]

707-07-3(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29163100
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

clear colorless liquid
[Uses]

Trimethyl Orthobenzoate is a reagent used in the synthesis of quinazolines. Also used in the prepaaration of nintedanib (N478290), used in the treatment of idiopathic pulmonary fibrosis. Also inhibits the process blood vessel formation which may be used to assist in cancer therapy.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 72, p. 1661, 1950 DOI: 10.1021/ja01160a067
[General Description]

Trimethyl orthobenzoate reacts with P-dimethylaminophosphonic acid bis(1-methylhydrazide) to yield 1,2,5,6-tetrahydro-1,5-dimethyl-6-(N,N-dimethylamino)-6-phenyl-1,2,4,5,6-tetrazaphosphorine-6-oxide.
[Synthesis]

The phenylbenzamide derivative (44.3 mmol) and methyl trifluoromethanesulfonate (5.93 mL, 52.5 mmol) were dissolved in dry dichloromethane (20 mL) and the reaction solution was stirred for 18 hours. Anhydrous ether (70 mL) was added to the reaction mixtur
Spectrum DetailBack Directory
[Spectrum Detail]

Trimethyl orthobenzoate(707-07-3)MS
Trimethyl orthobenzoate(707-07-3)1HNMR
Trimethyl orthobenzoate(707-07-3)13CNMR
Trimethyl orthobenzoate(707-07-3)IR1
Trimethyl orthobenzoate(707-07-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Trimethyl orthobenzoate, 97%(707-07-3)
[Alfa Aesar]

Trimethyl orthobenzoate, 98%(707-07-3)
[Sigma Aldrich]

707-07-3(sigmaaldrich)
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