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ChemicalBook--->CAS DataBase List--->398-62-9

398-62-9

398-62-9 Structure

398-62-9 Structure
IdentificationMore
[Name]

1,2-DIMETHOXY-4-FLUOROBENZENE
[CAS]

398-62-9
[Synonyms]

1,2-DIMETHOXY-4-FLUOROBENZENE
1-FLUORO-3,4-DIMETHOXYBENZENE
3,4-DIMETHOXY-1-FLUOROBENZENE
3,4-DIMETHOXYFLUOROBENZENE
4-FLUORO-1,2-DIMETHOXYBENZENE
4-FLUOROVERATROLE
4-Fluoroveratrole,98%
1,2-Dimethoxy-4-fluorobenzene 98%
1,2-Dimethoxy-4-fluorobenzene98%
4-Fluoropyrocatechol dimethyl ether
4-FLUOROVERATROLE 98%
3,4-Dimethoxyfluorobenzene (4-Fluoroveratrole)
3,4-Dimethoxyphenyl fluoride
[Molecular Formula]

C8H9FO2
[MDL Number]

MFCD00012201
[Molecular Weight]

156.15
[MOL File]

398-62-9.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystal
[Boiling point ]

120-123°C 45mm
[density ]

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

n20/D 1.51(lit.)
[Fp ]

197 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly)
[form ]

Oil
[color ]

Colourless
[Specific Gravity]

1.19
[Water Solubility ]

Soluble in water 0.079 g/L 25°C.
[BRN ]

2441600
[InChI]

InChI=1S/C8H9FO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5H,1-2H3
[InChIKey]

DAGKHJDZYJFWSO-UHFFFAOYSA-N
[SMILES]

C1(OC)=CC=C(F)C=C1OC
[CAS DataBase Reference]

398-62-9(CAS DataBase Reference)
Safety DataBack Directory
[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 .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

29093090
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystal
[Uses]

4-Fluoro-1,2-dimethoxybenzene is a raw material used in organic synthesis.
[Synthesis]

4-Aminoveratrole

6315-89-5

1,2-DIMETHOXY-4-FLUOROBENZENE

398-62-9

General procedure for the synthesis of 4-fluoro-1,2-dimethoxybenzene from 3,4-dimethoxyaniline: 1. Continuous diazotization step: material A (50 mL containing 3,4-dimethoxyaniline (100 mmol), fluoboric acid (120 mmol), hydrochloric acid (180 mmol)) and material B (50 mL containing aqueous sodium nitrite solution) were mixed in a reaction tube at 25 °C with a residence time of about 15 seconds. Subsequently, sodium nitrite solution (105 mmol) was pumped into the reaction system through a T-fitting at a flow rate of 4 mL/min. The reaction mixture flowed out through the outlet and was collected in a cooling vessel, maintaining vigorous stirring during the process. The resulting slurry was cooled to -5°C and then pumped. The solids were washed with methanol and subsequently dried under vacuum to give the corresponding diazonium tetrafluoroborate. 2. Continuous fluorination carbonylation process: a slurry of the above prepared diazonium tetrafluoroborate in 300 mL of co-solvent was introduced continuously into the reaction tube at a flow rate of 4 mL/min. The mixture was kept at a set temperature for 1 min and subsequently cooled in the tandem tube. The collected liquid was washed with aqueous NaOH and water to give an almost colorless liquid of 4-fluoro-1,2-dimethoxybenzene.

[References]

[1] Tetrahedron Letters, 2013, vol. 54, # 10, p. 1261 - 1263
[2] Patent: CN105503549, 2016, A. Location in patent: Paragraph 0018; 0019; 0020
[3] Journal of Organic Chemistry, 1986, vol. 51, # 21, p. 4073 - 4075
[4] Angewandte Chemie - International Edition, 2018, vol. 57, # 31, p. 9896 - 9900
[5] Angew. Chem., 2018, vol. 130, p. 10044 - 10048,5
Spectrum DetailBack Directory
[Spectrum Detail]

1,2-DIMETHOXY-4-FLUOROBENZENE(398-62-9)MS
1,2-DIMETHOXY-4-FLUOROBENZENE(398-62-9)1HNMR
1,2-DIMETHOXY-4-FLUOROBENZENE(398-62-9)13CNMR
1,2-DIMETHOXY-4-FLUOROBENZENE(398-62-9)IR1
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

1,2-Dimethoxy-4-fluorobenzene, 98%(398-62-9)
[Sigma Aldrich]

398-62-9(sigmaaldrich)
[TCI AMERICA]

4-Fluoro-1,2-dimethoxybenzene,>96.0%(GC)(398-62-9)
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