Ethyl 1,4-benzodioxan-2-carboxylate

• CAS: 4739-94-0
• Catalog Number: ACM4739940
• Category: Other Products
• Molecular Weight: 208.21
• Molecular Formula: C₁₁H₁₂O₄
• Synonyms: TIMTEC-BB SBB008613;ETHYL 2,3-DIHYDRO-1,4-BENZODIOXIN-2-CARBOXYLATE;ETHYL 1,4-BENZODIOXAN-2-CARBOXYLATE;2,3-DIHYDRO-BENZO[1,4]DIOXINE-2-CARBOXYLIC ACID ETHYL ESTER;1,4-BENZODIOXAN-2-CARBOXYLIC ACID ETHYL ESTER;2,3-Dihydro-2-Carboethoxy-1,4-;2,3-Dihydro-2-carboethoxy-1, 4-benzodioxane;ETHYL 1,4-BENZODIOXANE-2-CARBOXYLATE
• Boiling Point: 88-95°C0.3mm Hg(lit.)
• Flash Point: >230°F
• Density: 1.208g/mL at 25°C
• Hazard Statements: Xn

Custom Q&A

What is the molecular formula of Ethyl 1,4-benzodioxan-2-carboxylate?

The molecular formula of Ethyl 1,4-benzodioxan-2-carboxylate is C11H12O4.

What is the molecular weight of Ethyl 1,4-benzodioxan-2-carboxylate?

The molecular weight of Ethyl 1,4-benzodioxan-2-carboxylate is 208.21 g/mol.

When was Ethyl 1,4-benzodioxan-2-carboxylate created in PubChem?

Ethyl 1,4-benzodioxan-2-carboxylate was created in PubChem on 2005-08-08.

How many synonyms are listed for Ethyl 1,4-benzodioxan-2-carboxylate in PubChem?

There are multiple synonyms listed for Ethyl 1,4-benzodioxan-2-carboxylate in PubChem.

What is the InChIKey for Ethyl 1,4-benzodioxan-2-carboxylate?

The InChIKey for Ethyl 1,4-benzodioxan-2-carboxylate is DDIGEMWIKJMEIU-UHFFFAOYSA-N.

How many hydrogen bond acceptors does Ethyl 1,4-benzodioxan-2-carboxylate have?

Ethyl 1,4-benzodioxan-2-carboxylate has 4 hydrogen bond acceptors.

What is the XLogP3 value of Ethyl 1,4-benzodioxan-2-carboxylate?

The XLogP3 value of Ethyl 1,4-benzodioxan-2-carboxylate is 2.1.

How many rotatable bond counts does Ethyl 1,4-benzodioxan-2-carboxylate have?

Ethyl 1,4-benzodioxan-2-carboxylate has 3 rotatable bond counts.

What is the topological polar surface area of Ethyl 1,4-benzodioxan-2-carboxylate?

The topological polar surface area of Ethyl 1,4-benzodioxan-2-carboxylate is 44.8?2.

Is Ethyl 1,4-benzodioxan-2-carboxylate classified as a canonicalized compound in PubChem?

Yes, Ethyl 1,4-benzodioxan-2-carboxylate is classified as a canonicalized compound in PubChem.

Synthetic Use

Upstream Synthesis Route 1

• 120-80-9
• 3674-13-3

• 4739-94-0

Reference: [1] Tetrahedron Asymmetry, 2001, vol. 12, # 15, p. 2169 - 2174

Upstream Synthesis Route 2

• 64-17-5
• 3663-80-7

• 4739-94-0

Reference: [1] Bioorganic and Medicinal Chemistry, 2012, vol. 20, # 20, p. 6048 - 6058
[2] Chemical and Pharmaceutical Bulletin, 2014, vol. 62, # 11, p. 1110 - 1118
[3] Patent: CN103304546, 2016, B, . Location in patent: Paragraph 0036-0038

Downstream Synthesis Route 1

• 4739-94-0

• 3663-80-7

Reference: [1] Journal of the American Chemical Society, 1955, vol. 77, p. 5373

Downstream Synthesis Route 2

• 4739-94-0

• 3663-80-7

Reference: [1]Journal of the American Chemical Society,1955,vol. 77,p. 5373
[2]Indian Journal of Heterocyclic Chemistry,2015,vol. 25,p. 113 - 118

Downstream Synthesis Route 3

• 3603-45-0
• 4739-94-0

• 13164-74-4

Reference: [1]Bollettino Chimico Farmaceutico,1967,vol. 106,p. 38 - 46

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