Diethy 4-bromobenzylphosphonate

• CAS: 38186-51-5
• Catalog Number: ACM38186515-1
• Category: Other Products
• Molecular Weight: 307.12
• Molecular Formula: C11H16BrO3P
• Synonyms: (4-Bromobenzyl)phosphonic Acid Diethyl Ester
• IUPAC Name: 1-bromo-4-(diethoxyphosphorylmethyl)benzene
• InChI: IPTXXSZUISGKCJ-UHFFFAOYSA-N
• InChI Key: InChI=1S/C11H16BrO3P/c1-3-14-16(13,15-4-2)9-10-5-7-11(12)8-6-10/h5-8H,3-4,9H2,1-2H3
• Boiling Point: 143-144 °C at 12 mmHg(lit.)
• Flash Point: 192 °F
• Density: 1.111 g/mL at 25 °C(lit.)
• Appearance: Liquid
• Isomeric SMILES: CCOP(=O)(CC1=CC=C(C=C1)Br)OCC

Custom Q&A

What is the CAS number of Diethyl 4-bromobenzylphosphonate?

The CAS number is 38186-51-5.

What is the molecular formula of Diethyl 4-bromobenzylphosphonate?

The molecular formula is C11H16BrO3P.

How many hydrogen bond acceptors does Diethyl 4-bromobenzylphosphonate have?

It has 3 hydrogen bond acceptors.

What is the exact mass of Diethyl 4-bromobenzylphosphonate?

The exact mass is 306.00204.

What is the IUPAC name of Diethyl 4-bromobenzylphosphonate?

The IUPAC name is 1-bromo-4-(diethoxyphosphorylmethyl)benzene.

How many heavy atoms does Diethyl 4-bromobenzylphosphonate contain?

It contains 16 heavy atoms.

What is the Canonical SMILES representation of Diethyl 4-bromobenzylphosphonate?

CCOP(=O)(CC1=CC=C(C=C1)Br)OCC

What is the molecular weight of Diethyl 4-bromobenzylphosphonate?

The molecular weight is 307.12g/mol.

What is the InChIKey of Diethyl 4-bromobenzylphosphonate?

The InChIKey is IPTXXSZUISGKCJ-UHFFFAOYSA-N.

Provide three synonyms for Diethyl 4-bromobenzylphosphonate.

Three synonyms are Diethyl (4-Bromobenzyl)phosphonate, Diethy 4-bromobenzylphosphonate, and Diethyl p-bromobenzylphosphonate.

Synthetic Use

Upstream Synthesis Route 1

• 19350-68-6
• 762-04-9

• 38186-51-5

Reference: [1] Advanced Synthesis and Catalysis, 2012, vol. 354, # 14-15, p. 2659 - 2664
[2] Tetrahedron, 2013, vol. 69, # 3, p. 1065 - 1068
[3] Angewandte Chemie - International Edition, 2018, vol. 57, # 22, p. 6624 - 6628[4] Angew. Chem., 2018, vol. 130, # 22, p. 6734 - 6738,5

Upstream Synthesis Route 2

• 873-75-6
• 122-52-1

• 38186-51-5

Reference: [1] Patent: CN106543221, 2017, A, . Location in patent: Paragraph 0030; 0031; 0032; 0033

Upstream Synthesis Route 3

• 589-15-1
• 122-52-1

• 38186-51-5

Reference: [1]Patent: US6689922,2004,B1 .Location in patent: Page column 23

Downstream Synthesis Route 1

• 119-61-9
• 38186-51-5

• 18648-66-3

Reference: [1] Journal of the American Chemical Society, 2000, vol. 122, # 24, p. 5695 - 5709

Downstream Synthesis Route 2

• 38186-51-5

• 40962-34-3

Reference: [1]Journal of Medicinal Chemistry,2013,vol. 56,p. 9982 - 10002
[2]Polyhedron,2018,vol. 147,p. 1 - 8
[3]Journal of general chemistry of the USSR,1972,vol. 42,p. 2180 - 2183
Zhurnal Obshchei Khimii,1972,vol. 42,p. 2183 - 2186

Downstream Synthesis Route 3

• 38186-51-5

• 177284-56-9

Reference: [1]Taylor, Scott D.; Kotoris, Christopher C.; Dinaut, A. Nicole; Chen, Mei-Jin
[Tetrahedron, 1998, vol. 54, # 9, p. 1691 - 1714]

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