Cas no 63909-50-2 (Diethyl (3-Methylbenzyl)phosphonate)

Diethyl (3-Methylbenzyl)phosphonate is an organophosphorus compound characterized by its phosphonate ester functional group. This reagent is commonly employed in organic synthesis, particularly in Horner-Wadsworth-Emmons (HWE) reactions, where it serves as a stable precursor for generating reactive phosphonate anions. Its 3-methylbenzyl substituent enhances steric and electronic properties, making it useful in the preparation of α,β-unsaturated esters and other functionalized olefins. The compound exhibits good solubility in common organic solvents, facilitating its use in homogeneous reaction conditions. Its stability under standard storage conditions and consistent reactivity profile make it a reliable choice for synthetic applications in pharmaceuticals, agrochemicals, and materials science.
Diethyl (3-Methylbenzyl)phosphonate structure
63909-50-2 structure
Product Name:Diethyl (3-Methylbenzyl)phosphonate
CAS No:63909-50-2
MF:C12H19O3P
MW:242.251224756241
MDL:MFCD08276364
CID:425440
PubChem ID:87558392
Update Time:2025-06-07

Diethyl (3-Methylbenzyl)phosphonate Chemical and Physical Properties

Names and Identifiers

    • Phosphonic acid, [(3-methylphenyl)methyl]-, diethyl ester
    • Diethyl (3-Methylbenzyl)phosphonate
    • 1-(diethoxyphosphorylmethyl)-3-methylbenzene
    • (3-METHYLBENZYL)PHOSPHONIC ACID DIETHYL ESTER
    • 3-(Diethylphosphonomethyl)toluene
    • diethyl 3-methylbenzylphosphonate
    • Diethyl(3-methylbenzyl)phosphonate
    • VZ31765
    • 3-Methylbenzylphosphonic acid diethyl ester
    • diethyl [(3-methylphenyl)methyl]phosphonate
    • D3328
    • 1-(diethoxyphosphorylmethyl)-3-methyl
    • MFCD08276364
    • SY054757
    • A867990
    • D90177
    • AS-61374
    • DTXSID60445776
    • CS-0187358
    • SCHEMBL1831290
    • FT-0640910
    • 63909-50-2
    • AKOS015842111
    • 1-(diethoxyphosphorylmethyl)-3-methyl-benzene
    • DB-054576
    • DIETHYL (3-METHYLPHENYL)METHYLPHOSPHONATE
    • LMLREDDVMFNSMK-UHFFFAOYSA-N
    • MDL： MFCD08276364
    • Inchi： 1S/C12H19O3P/c1-4-14-16(13,15-5-2)10-12-8-6-7-11(3)9-12/h6-9H,4-5,10H2,1-3H3
    • InChI Key： LMLREDDVMFNSMK-UHFFFAOYSA-N
    • SMILES： P(CC1C=CC=C(C)C=1)(=O)(OCC)OCC

Computed Properties

  • Exact Mass: 242.10700
  • Monoisotopic Mass: 242.10718146g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 6
  • Complexity: 232
  • 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: 35.5
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.1

Experimental Properties

  • Color/Form: Colorless transparent liquid
  • Density: 1.077
  • Boiling Point: 127°C/0.7mmHg(lit.)
  • Flash Point: 173.569°C
  • Refractive Index: 1.4940-1.4980
  • PSA: 45.34000
  • LogP: 3.76110
  • Solubility: Not determined

Diethyl (3-Methylbenzyl)phosphonate Customs Data

  • HS CODE：2931900090
  • Customs Data：

    China Customs Code:

    2931900090

    Overview:

    2931900090. Other organic-Inorganic compound. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods). MFN tariff:6.5%. general tariff:30.0%

    Summary:

    2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%

Diethyl (3-Methylbenzyl)phosphonate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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Diethyl (3-Methylbenzyl)phosphonate
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SHANG HAI SHAO YUAN SHI JI Co., Ltd.
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TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd.
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TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd.
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