[ CAS No. 13129-23-2 ]

Name: 13129-23-2|Methyl furan-3-carboxylate|98%
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Quality Control of [ 13129-23-2 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 13129-23-2 ]

SDS

Alternatived Products of [ 13129-23-2 ]

Product Details of [ 13129-23-2 ]

CAS No. :	13129-23-2	MDL No. :	MFCD06203671
Formula :	C₆H₆O₃	Boiling Point :	181.3°C at 760 mmHg
Linear Structure Formula :	-	InChI Key :	N/A
M.W :	126.11 g/mol	Pubchem ID :	-
Synonyms :

Safety of [ 13129-23-2 ]

Signal Word:	Danger	Class:	3
Precautionary Statements:	P210-P280-P305+P351+P338	UN#:	3272
Hazard Statements:	H225-H315-H319-H335	Packing Group:	Ⅲ
GHS Pictogram:

Application In Synthesis of [ 13129-23-2 ]

Upstream synthesis route of [ 13129-23-2 ]
Downstream synthetic route of [ 13129-23-2 ]

[ 13129-23-2 ] Synthesis Path-Upstream 1~1

1
[ 110210-72-5 ]
[ 110-00-9 ]
[ 13129-23-2 ]
[ 922-67-8 ]

Reference： [1] Bulletin de la Societe Chimique de France, 1986, # 5, p. 766 - 770

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[ 13129-23-2 ]

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[ 13129-23-2 ]

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Ethyl furan-3-carboxylate

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[ 4282-26-2 ]

4-(Methoxycarbonyl)furan-3-carboxylic acid

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Dimethyl furan-3,4-dicarboxylate

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Methyl 4-methylfuran-3-carboxylate

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Ghs Precautionary Statements

Precautionary Statements-General
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P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
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P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
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P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
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P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
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P281	Use personal protective equipment as required.
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P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
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P342	If experiencing respiratory symptoms:
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P351	Rinse cautiously with water for several minutes.
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P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

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Yield	Reaction Conditions	Operation in experiment
	With sulfuric acid; 1,2-dichloro-ethane
	With sulfuric acid at 60℃; for 15h;	1 Furan-3-carboxylic acid hvdrazide (Intermediate compound); A mixture of 3-furoic acid (25 g, 223 mmol), sulfuric acid (2.2 g, 22 mmol) and methanol (250 ml) was stirred at 60°C for 15 h. Hydrazine monohydrate (89.3 g, 1784 mmol) was added and the mixture was stirred at 60°C for 15 h. Methanol and excess of hydrazine was evaporated. The mixture was triturated with dry diethylether, filtered and washed with dry diethylether. Yield 22.7 g.
	With sulfuric acid at 0 - 20℃; for 12h;

Yield	Reaction Conditions	Operation in experiment
87.5%	Stage #1: N,N-dimethyl-formamide With trichlorophosphate at 0 - 20℃; Inert atmosphere; Stage #2: methyl furan-3-carboxylate at 100℃; Inert atmosphere;	4.2.1. Methyl 5-formylfuran-3-carboxylate (7) In a round-bottom flask fitted with a condenser and a thermometer, POCl3 (2.4 mL, 26 mmol) was added dropwise over 10 min to stirred DMF (2.6 mL, 34 mmol) under nitrogen atmosphere at 0 °C. After the reaction mixture reached room temperature, methyl 2-furoate (2.1 mL, 20 mmol) was added and the temperature was gradually raised to 100 °C. (CAUTION.: at about 45 °C an exothermic reaction with evolution of HCl starts). The reaction mixture was stirred at the same temperature for 1 h and then cooled. The resulting brown tar was poured onto stirred ice-water (30 mL) and the organic phase extracted with Et2O (6 × 25 mL), washed with H2O (100 mL), NaHCO3 (100 mL) and brine (75 mL), and dried over MgSO4. The solvent was evaporated under reduced pressure and the resulting orange solid was purified by flash chromatography (hexane/EtOAc/9:1) to give 7 as a pale yellow oil (2.7 g, 87.5%). 1H NMR (CDCl3) (400 MHz) δ 9.67 (s, 1H), 8.19 (s, 1H), 7.51 (d, J = 0.57, 1 H), 3.86 (s, 3H). 13C NMR (CDCl3) (100 MHz) δ 177.8, 162.0, 153.2, 151.5, 121.5, 119.6, 52.1. MS m/z (ES+) (relative intensity) 154 (M+). HRMS [M+H]+ calculated for C7H6O4m/z 155.0344, found 155.0351.
	With trichlorophosphate

Yield	Reaction Conditions	Operation in experiment
84%	With sulfuric acid at -10℃; for 10h; electrochemical methoxylation;
13%	With sulfuric acid at -40℃; electrolysis on Pt, 4.5 F/mol.;
	With bromine	4A.1 Step 1 Following the procedure of Burness (Organic Syntheses 1960, 40, 29) the methyl ester of 3- iuran carboxylic acid is oxidized with bromine in methanol to give the 2,5-dihydro-2,5-dimethoxyfuran 4-2

Yield	Reaction Conditions	Operation in experiment
	With methylenebis(oxazoline)-based chiral ligand; copper(II) bis(trifluoromethanesulfonate); phenylhydrazine In dichloromethane at 20℃; for 12h; Title compound not separated from byproducts;
	With copper(II) bis(trifluoromethanesulfonate); phenylhydrazine; (4S,4'S,5S,5'S)-2,2'-(propane-2,2-diyl)bis(4-(hydroxymethyl)-5-phenyl-4,5-dihydrooxazole) In dichloromethane Title compound not separated from byproducts.;

[ CAS No. 13129-23-2 ]

Quality Control of [ 13129-23-2 ]

Related Doc. of [ 13129-23-2 ]

Product Details of [ 13129-23-2 ]

Safety of [ 13129-23-2 ]

Application In Synthesis of [ 13129-23-2 ]

[ 13129-23-2 ] Synthesis Path-Upstream 1~1

[ 13129-23-2 ] Synthesis Path-Downstream 1~24