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2-Furanacetic acid

2-Furanacetic acid structure

CAS No:
2745-26-8
Formula:
C6H6O3
Chemical Name:
2-Furanacetic acid
Synonyms:
2-Furanacetic acid;2-Furylacetic acid;2-(2-Furyl)acetic acid;2-Furanylacetic acid;2-(Furan-2-yl)acetic acid
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

2-furanacetic acid is a heteroarene.

2-Furanacetic acid Basic Attributes

Molecular Weight：

126.11

Exact Mass：

126.11

EC Number：

220-380-3

UNII：

C2XFE1JTO5

DSSTox ID：

DTXSID60181864

HScode：

2932190090

Characteristics

PSA：

50.4

XLogP3：

0.6

Density：

1.3±0.1 g/cm3

Melting Point：

68.5 °C

Boiling Point：

233.8°C at 760 mmHg

Flash Point：

95.2±20.4 °C

Refractive Index：

1.507

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

22-37/38-41

safety instructions：

26-39

Marks：

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H315-H318-H335

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Furanacetic acid Use and Manufacturing

In a mixed solution of 30 mL of a 3 N sodium hydroxide solution and 30 mL of methanol, was dissolved 3.34 g (31.2 mmol) of 2-α-furylacetonitrile and the resulting solution was heat-refluxed for 2 hours and 30 min. while stirring the solution. 2-(Furan-2-yl)acetonitrile was suspended in 300 mL of distilled water, mixed with 50 g (0.89 mmol) of potassium hydroxide and heated for 4 hours under reflux. 2-(Bromomethyl)furan was dissolved in 125 mL of N, N-dimethylformaide, mixed with 13.7 g (0.280 mmol) of sodium cyanide and stirred at room temperature for 11 hours. Preparation 18 General procedure: Into a 1L open reactor was added 500g of carboxylic acid feedstock (chemically pure), stirring was turned on (600 r/min), ammonia gas was continuously fed to the carboxylic acid feed from the bottom of the reactor (chemical purity, water content was 5.1wt%, Flow rate is 100g/min). After the reaction was allowed to proceed for TC hours at the reaction temperature TA, the ammonia gas flow was stopped. The contents of the reactor were sampled and nuclear magnetic proton spectra and elemental analysis were performed to characterize the amide intermediate. Specific reaction conditions and characterization results are shown in Table A-1, Table A-2, Table A-3, Table A-4, Table A-5 and Table A-6. These characterization results show that the obtained amide intermediate has an extremely high purity (above 99%).In this embodiment, the ammonia gas can be directly replaced with waste ammonia gas (from Yangzi Petrochemical Plant, containing approximately50wt% of ammonia gas, the rest were toluene, oxygen, nitrogen, steam, carbon monoxide, and carbon dioxide, and the flow rate of this waste ammonia was 130g/min).

Computed Properties

Molecular Weight:126.11
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:126.031694049
Monoisotopic Mass:126.031694049
Topological Polar Surface Area:50.4
Heavy Atom Count:9
Complexity:111
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 2-Furanacetic acid

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

CN
5 YRS

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Trader Supplier of Intermediates,Building blocks,API,Silicones,Peptides,Lab chemicals,Biochemicals,Pharmaceuticals,Screening Compounds,Food Additives

furan-2-acetic acid

CAS No.: 2745-26-8

Content: 99.00%

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Compound Net Biotechnology Inc. Contact Supplier

CN
2 YRS

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Manufactory Supplier of 4-(Pentafluorothio)aniline,Pentafluoro,Pentafluorothio,Pentafluorosulfur,[4-(bromomethyl)phenyl]-pentafluoro-lambda6-sulfane,[4-(pentafluoro-sulfanyl)phenyl]acetic acid

2745-26-8 2-(furan-2-yl)acetic acid

CAS No.: 2745-26-8

Grade: Industrial Grade

Content: 95%

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