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Structure

2,3-Dihydro-1,4-benzodioxin-6-carboxylic acid methyl ester

CAS
20197-75-5
Catalog Number
ACM20197755
Category
Other Products
Molecular Weight
194.184000 [g/mol]
Molecular Formula
C10H10O4

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Specification

Synonyms
20197-75-5, methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate, methyl 2,3-dihydrobenzo[b][1,4]dioxine-6-carboxylate, ZINC04862922, AC1MWNPM, SureCN668237, CHEMBL2435587, CTK4E3531, MolPort-002-558-937, STL253530, AKOS000348972, AG-E-47839, MCULE-5911444979, RL02517, AK-47032, KB-53739, FT-0660864, A814322, T6987813, I14-20169
IUPAC Name
methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
Canonical SMILES
COC(=O)C1=CC2=C(C=C1)OCCO2
InChI Key
GYUXWAIDEGEMEE-UHFFFAOYSA-N
Boiling Point
292.5ºC at 760 mmHg
Flash Point
127.7ºC
Density
1.242g/cm³
Exact Mass
194.05800
H-Bond Acceptor
4
H-Bond Donor
0

Upstream Synthesis Route 1

  • 325147-52-2
  • 20197-75-5

Reference: [1]Journal of the American Chemical Society,2000,vol. 122,p. 12907 - 12908
[2]Journal of the American Chemical Society,2001,vol. 123,p. 12202 - 12206

Downstream Synthesis Route 1

  • 20197-75-5
  • 4442-54-0

Reference: [1] Journal of Coordination Chemistry, 2014, vol. 67, # 7, p. 1265 - 1278

Downstream Synthesis Route 2

  • 20197-75-5
  • 98953-13-0

Reference: [1]Journal of Medicinal Chemistry,2012,vol. 55,p. 4407 - 4424

Downstream Synthesis Route 3

  • 20197-75-5
  • 52791-03-4

Reference: [1]Patent: CN104557955,2017,B .Location in patent: Paragraph 0176; 0178

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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