2,2-Difluoro-5-(hydroxymethyl)-1,3-benzodioxole

• CAS: 72768-97-9
• Catalog Number: ACM72768979
• Category: Other Products
• Molecular Weight: 188.13
• Molecular Formula: C8H6F2O3
• Synonyms: 72768-97-9, (2,2-Difluoro-benzo[1,3]dioxol-5-yl)-methanol, 2,2-Difluoro-5-(hydroxymethyl)-1,3-benzodioxole, AG-G-86746, (2,2-Difluoro-1,3-benzodioxol-5-yl)methanol, (2,2-Difluorobenzo[d][1,3]dioxol-5-yl)methanol, ACMC-209oo8, SureCN351795, CTK2H2121, MolPort-004-962-120, ANW-36246, PC5472, SBB090694, ZINC36533696, AKOS015888704, PB17336, AK-96244, KB-86970, 1,3-Benzodioxole-5-methanol, 2,2-difluoro-, A-2848
• IUPAC Name: (2,2-difluoro-1,3-benzodioxol-5-yl)methanol
• Canonical SMILES: C1=CC2=C(C=C1CO)OC(O2)(F)F
• InChI Key: PJPDSEYHEHGLOH-UHFFFAOYSA-N
• Boiling Point: 229.145ºC at 760 mmHg
• Flash Point: 113.298ºC
• Density: 1.513g/cm³
• Exact Mass: 188.02900
• H-Bond Acceptor: 5
• H-Bond Donor: 1

Synthetic Use

Upstream Synthesis Route 1

• 773873-95-3

• 72768-97-9

Reference: [1]Patent: WO2007/21982,2007,A2 .Location in patent: Page/Page column 64

Upstream Synthesis Route 2

• 656-46-2

• 72768-97-9

Reference: [1]Patent: WO2009/73757,2009,A1 .Location in patent: Page/Page column 20

Downstream Synthesis Route 1

• 72768-97-9

• 68119-31-3

Reference: [1] Patent: WO2011/119984, 2011, A1,

Downstream Synthesis Route 2

• 72768-97-9

• 862574-87-6

Reference: [1] Patent: WO2011/119984, 2011, A1,

Downstream Synthesis Route 3

• 72768-97-9

• 1152311-62-0

Reference: [1] Patent: WO2011/119984, 2011, A1,

Downstream Synthesis Route 4

• 72768-97-9

• 476473-97-9

Reference: [1]Current Patent Assignee: VERTEX PHARMACEUTICALS (OLD) - WO2009/73757, 2009, A1
Location in patent: Page/Page column 20

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