Cas no 85614-43-3 (Methyl 5-allyl-3-methoxysalicylate)

Methyl 5-allyl-3-methoxysalicylate structure
85614-43-3 structure
Product Name:Methyl 5-allyl-3-methoxysalicylate
CAS No:85614-43-3
MF:C12H14O4
MW:222.237164020538
MDL:MFCD04038819
CID:60899
PubChem ID:24883687
Update Time:2024-10-26

Methyl 5-allyl-3-methoxysalicylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 5-allyl-2-hydroxy-3-methoxybenzoate
    • Methyl 5-Allyl-3-Methoxysalicylate
    • 2-?hydroxy-?3-?methoxy-?5-?(2-?propen-?1-?yl)?Benzoic acid methyl ester
    • methyl 2-hydroxy-3-methoxy-5-prop-2-enylbenzoate
    • Methyl 5-Allyl-3-met
    • 5-Allyl-2-hydroxy-3-methoxybenzoic Acid Methyl Ester
    • 5-Allyl-3-methoxysalicylic Acid Methyl Ester
    • Methyl 5-Allyl-2-Hydroxy-3-Methoxy Benzoate
    • Benzoic acid, 2-hydroxy-3-methoxy-5-(2-propenyl)-, methyl ester
    • KSC496K1L
    • 2-hydroxy-3-methoxy-5-(2-propenyl)benzoic acid methyl ester
    • methyl 3-methoxy-5-allylsalicylate
    • Benzoic acid, 2-hydroxy-3-methoxy-5-(2-propenyl)-, methyl ester (9CI)
    • Methyl 2-hydroxy-3-methoxy-5-(2-propen-1-yl)benzoate (ACI)
    • Methyl 5-allyl-3-methoxysalicylate
    • MDL： MFCD04038819
    • Inchi： 1S/C12H14O4/c1-4-5-8-6-9(12(14)16-3)11(13)10(7-8)15-2/h4,6-7,13H,1,5H2,2-3H3
    • InChI Key： LYSUGZLJKRSLHM-UHFFFAOYSA-N
    • SMILES： O=C(C1C(O)=C(OC)C=C(CC=C)C=1)OC

Computed Properties

  • Exact Mass: 222.08900
  • Monoisotopic Mass: 222.089
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 251
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 55.8

Experimental Properties

  • Color/Form: White to yellowish powder, crystals, crystalline powder and / or bulk
  • Density: 1.144
  • Melting Point: 54-58?°C (lit.)
  • Boiling Point: 174°C/12mmHg(lit.)
  • Flash Point: >110 oC
  • Refractive Index: 1.535
  • PSA: 55.76000
  • LogP: 1.91590

Methyl 5-allyl-3-methoxysalicylate Security Information

  • Symbol: GHS07
  • Prompt：warning
  • Signal Word：Warning
  • Hazard Statement： H302-H315-H319-H335
  • Warning Statement： P261-P305+P351+P338
  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：3
  • Hazard Category Code： 22-36/37/38
  • Safety Instruction： S26-S36
  • Hazardous Material Identification： Xi
  • Risk Phrases：R22; R36/37/38

Methyl 5-allyl-3-methoxysalicylate Customs Data

  • HS CODE：2918990090
  • Customs Data：

    China Customs Code:

    2918990090

    Overview:

    2918990090. Other additional oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Methyl 5-allyl-3-methoxysalicylate Pricemore >>

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M834720-25g
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abcr
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Methyl 5-allyl-3-methoxysalicylate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Acetone ;  12 h, 80 °C
2.1 30 - 90 min, 180 - 250 °C; 250 °C → rt
Reference
Synthesis of Precursor of 18F-Fallypride
Yang, Min; et al, Zhongguo Yiyao Gongye Zazhi, 2004, 35(9), 517-519

Production Method 2

Reaction Conditions
1.1 Reagents: Sodium hydride Solvents: Dimethylformamide ;  10 min, 0 - 5 °C
1.2 3 h, rt
1.3 Reagents: Water ;  cooled
2.1 Reagents: Sulfamic acid ,  Sodium chlorite Solvents: Acetone ,  Water ;  1 h, 0 - 5 °C
3.1 Reagents: Sulfuric acid ;  overnight, rt
3.2 Reagents: Sodium bicarbonate Solvents: Water ;  neutralized
4.1 rt → 250 °C; 2 h, 220 - 250 °C
Reference
Synthesis of choleretic drug alibendol
Ouyang, Hongxia; et al, Jingxi Huagong, 2011, 28(12), 1199-1202

Production Method 3

Reaction Conditions
1.1 Reagents: Sulfuric acid Solvents: Methanol
2.1 Catalysts: Potassium carbonate
3.1 -
Reference
Synthesis and in vitro evaluation of 2,3-dimethoxy-5-(fluoroalkyl)-substituted benzamides: high-affinity ligands for CNS dopamine D2 receptors
Bishop, John E.; et al, Journal of Medicinal Chemistry, 1991, 34(5), 1612-24

Production Method 4

Reaction Conditions
1.1 rt → 250 °C; 2 h, 220 - 250 °C
Reference
Synthesis of choleretic drug alibendol
Ouyang, Hongxia; et al, Jingxi Huagong, 2011, 28(12), 1199-1202

Production Method 5

Reaction Conditions
1.1 30 - 90 min, 180 - 250 °C; 250 °C → rt
Reference
Synthesis of Precursor of 18F-Fallypride
Yang, Min; et al, Zhongguo Yiyao Gongye Zazhi, 2004, 35(9), 517-519

Production Method 6

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Acetone ;  5 h, 80 °C; 80 °C → 20 °C
2.1 2 h, 200 - 210 °C
Reference
A synthesis of alibendol, 2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-5-(2-propenyl)benzamide via m-CPBA oxidation of o-vanillin
Kim, Eunju; et al, Bulletin of the Korean Chemical Society, 2004, 25(11), 1720-1722

Production Method 7

Reaction Conditions
1.1 Reagents: Amberlyst 15 Solvents: Chloroform ;  rt; 3 h, reflux
1.2 Reagents: Boron trifluoride etherate ,  m-Chloroperbenzoic acid ;  1 h, rt
1.3 Reagents: Sodium hydroxide Solvents: Water ;  rt
2.1 2 h, 200 - 210 °C
Reference
A synthesis of alibendol, 2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-5-(2-propenyl)benzamide via m-CPBA oxidation of o-vanillin
Kim, Eunju; et al, Bulletin of the Korean Chemical Society, 2004, 25(11), 1720-1722

Production Method 8

Reaction Conditions
1.1 Reagents: Sulfuric acid ;  overnight, rt
1.2 Reagents: Sodium bicarbonate Solvents: Water ;  neutralized
2.1 rt → 250 °C; 2 h, 220 - 250 °C
Reference
Synthesis of choleretic drug alibendol
Ouyang, Hongxia; et al, Jingxi Huagong, 2011, 28(12), 1199-1202

Production Method 9

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Acetone ;  5 h, 80 °C; 80 °C → 20 °C
2.1 Reagents: Amberlyst 15 Solvents: Chloroform ;  rt; 3 h, reflux
2.2 Reagents: Boron trifluoride etherate ,  m-Chloroperbenzoic acid ;  1 h, rt
2.3 Reagents: Sodium hydroxide Solvents: Water ;  rt
3.1 2 h, 200 - 210 °C
Reference
A synthesis of alibendol, 2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-5-(2-propenyl)benzamide via m-CPBA oxidation of o-vanillin
Kim, Eunju; et al, Bulletin of the Korean Chemical Society, 2004, 25(11), 1720-1722

Production Method 10

Reaction Conditions
1.1 Reagents: Amberlyst 15 Solvents: Chloroform ;  rt; 3 h, reflux
1.2 Reagents: Boron trifluoride etherate ,  m-Chloroperbenzoic acid ;  1 h, rt
1.3 Reagents: Sodium hydroxide Solvents: Water ;  rt
2.1 Reagents: Potassium carbonate Solvents: Acetone ;  5 h, 80 °C; 80 °C → 20 °C
3.1 2 h, 200 - 210 °C
Reference
A synthesis of alibendol, 2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-5-(2-propenyl)benzamide via m-CPBA oxidation of o-vanillin
Kim, Eunju; et al, Bulletin of the Korean Chemical Society, 2004, 25(11), 1720-1722

Production Method 11

Reaction Conditions
1.1 Reagents: Sulfamic acid ,  Sodium chlorite Solvents: Acetone ,  Water ;  1 h, 0 - 5 °C
2.1 Reagents: Sulfuric acid ;  overnight, rt
2.2 Reagents: Sodium bicarbonate Solvents: Water ;  neutralized
3.1 rt → 250 °C; 2 h, 220 - 250 °C
Reference
Synthesis of choleretic drug alibendol
Ouyang, Hongxia; et al, Jingxi Huagong, 2011, 28(12), 1199-1202

Methyl 5-allyl-3-methoxysalicylate Raw materials

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Methyl 5-allyl-3-methoxysalicylate Suppliers

Suzhou Senfeida Chemical Co., Ltd
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Audited Supplier Audited Supplier
(CAS:85614-43-3)Methyl 5-allyl-3-methoxysalicylate
Order Number:sfd6982
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:34
Price ($):discuss personally

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Suzhou Senfeida Chemical Co., Ltd
(CAS:85614-43-3)Methyl 5-allyl-3-methoxysalicylate
sfd6982
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
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