Cas no 5802-17-5 (6-methoxy-3,4-dihydro-2H-1-benzopyran-4-one)

6-Methoxy-3,4-dihydro-2H-1-benzopyran-4-one is a synthetic heterocyclic compound featuring a benzopyran core with a methoxy substituent at the 6-position and a ketone functionality at the 4-position. This structure imparts versatility in organic synthesis, particularly as an intermediate for pharmaceuticals, agrochemicals, and fine chemicals. Its rigid bicyclic framework and electron-rich methoxy group enhance reactivity in electrophilic substitution and cyclization reactions. The compound's stability under standard conditions and well-defined crystalline form facilitate handling and purification. Researchers value its utility in constructing complex molecular architectures, including flavonoid analogs and bioactive molecules. Its consistent purity and structural reliability make it a preferred choice for method development and scaled applications.
6-methoxy-3,4-dihydro-2H-1-benzopyran-4-one structure
5802-17-5 structure
Product Name:6-methoxy-3,4-dihydro-2H-1-benzopyran-4-one
CAS No:5802-17-5
MF:C10H10O3
MW:178.184603214264
MDL:MFCD00190159
CID:366623
PubChem ID:4612168
Update Time:2025-05-28

6-methoxy-3,4-dihydro-2H-1-benzopyran-4-one Chemical and Physical Properties

Names and Identifiers

    • 6-methoxychroman-4-one
    • 6-Methoxy-4-chromanone
    • 4H-1-Benzopyran-4-one,2,3-dihydro-6-methoxy-
    • 6-METHOXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE
    • 6-methoxy-2,3-dihydrochromen-4-one
    • 2,3-Dihydro-6-methoxy-4H-benzopyran-4-one
    • 6-methoxy-3,4-dihydro-2H-1-benzopyran-4-one
    • LQIYOSKKKUPTRP-UHFFFAOYSA-N
    • 4H-1-Benzopyran-4-one, 2,3-dihydro-6-methoxy-
    • PubChem17933
    • 6-methoxy-chroman-4-one
    • AMOT0787
    • 6-Methoxychromanone, AldrichCPR
    • EBD7376
    • BCP26634
    • 8574AB
    • SBB068527
    • A
    • Z283724550
    • AM20040770
    • AC-31629
    • 5802-17-5
    • 2,3-Dihydro-6-methoxychromen-4-one
    • DS-15554
    • F1911-3048
    • M3135
    • SCHEMBL769313
    • FT-0655245
    • MFCD00190159
    • A15667
    • EN300-29433
    • CS-0028287
    • DTXSID40404866
    • AKOS005146434
    • SY110561
    • 6-METHOXY-2,3-DIHYDRO-1-BENZOPYRAN-4-ONE
    • DB-026404
    • MDL: MFCD00190159
    • Inchi: 1S/C10H10O3/c1-12-7-2-3-10-8(6-7)9(11)4-5-13-10/h2-3,6H,4-5H2,1H3
    • InChI Key: LQIYOSKKKUPTRP-UHFFFAOYSA-N
    • SMILES: O1C2C=CC(=CC=2C(CC1)=O)OC

Computed Properties

  • Exact Mass: 178.06300
  • Monoisotopic Mass: 178.062994177g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 202
  • 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
  • XLogP3: 1.3
  • Topological Polar Surface Area: 35.5

Experimental Properties

  • Density: 1.205
  • Melting Point: 45.0 to 49.0 deg-C
  • Boiling Point: 180°C/23mmHg(lit.)
  • PSA: 35.53000
  • LogP: 1.66040

6-methoxy-3,4-dihydro-2H-1-benzopyran-4-one Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H302-H317
  • Warning Statement: P280
  • Hazardous Material transportation number:NONH for all modes of transport
  • Hazard Category Code: 43
  • Safety Instruction: 36/37

6-methoxy-3,4-dihydro-2H-1-benzopyran-4-one Customs Data

  • HS CODE:2932999099
  • Customs Data:

    China Customs Code:

    2932999099

    Overview:

    2932999099. Other heterocyclic compounds containing only oxygen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

6-methoxy-3,4-dihydro-2H-1-benzopyran-4-one Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
M171080-5g
6-methoxy-3,4-dihydro-2H-1-benzopyran-4-one
5802-17-5 96%
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¥1718.90 2023-09-01
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SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
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