3,6-Bis(tert-butyl)carbazole

• CAS: 37500-95-1
• Catalog Number: ACM37500951-1
• Category: Organic & Printed Electronics
• Molecular Weight: 279.4
• Molecular Formula: C20H25N
• Synonyms: 3,6-Ditert-butyl-9H-carbazole
• IUPAC Name: 3,6-Di-tert-butyl-9H-carbazole
• Canonical SMILES: CC(C)(C)C1=CC2=C(C=C1)NC3=C2C=C(C=C3)C(C)(C)C
• InChI: InChI=1S/C20H25N/c1-19(2,3)13-7-9-17-15(11-13)16-12-14(20(4,5)6)8-10-18(16)21-17/h7-12,21H,1-6H3
• InChI Key: OYFFSPILVQLRQA-UHFFFAOYSA-N
• Boiling Point: 424.2±14.0 °C/760mmHg (lit.)
• Melting Point: 233-235 °C
• Flash Point: 181.3±12.7 °C
• Density: 1.037 g/mL at 25 °C (lit.)
• Appearance: Powder
• Storage: Sealed in dry,Room Temperature
• Complexity: 336
• Covalently-Bonded Unit Count: 1
• Exact Mass: 279.198699802
• Formal Charge: 0
• H-Bond Acceptor: 0
• H-Bond Donor: 1
• Heavy Atom Count: 21
• Monoisotopic Mass: 279.198699802
• Refractive Index: n20/D 1.608 (lit.)
• Rotatable Bond Count: 2
• Topological Polar Surface Area: 15.8 Ų
• XLogP3: 6.7

Synthetic Use

Upstream Synthesis Route 1

• 507-20-0
• 86-74-8

• 37500-95-1

Reference: [1] New Journal of Chemistry, 2016, vol. 40, # 11, p. 9160 - 9169

Upstream Synthesis Route 2

• 507-20-0
• 86-74-8
• 7646-85-7

• 37500-95-1

Reference: [1] Patent: US2010/331509, 2010, A1,

Upstream Synthesis Route 3

• 34601-54-2

• 37500-95-1

Reference: [1] Journal of Organic Chemistry, 2008, vol. 73, # 17, p. 6513 - 6520

Downstream Synthesis Route 1

• 5394-23-0
• 37500-95-1

• 551951-05-4

Reference: [1]Journal of the American Chemical Society,2003,vol. 125,p. 5356 - 5365
[2]Dalton Transactions,2011,vol. 40,p. 2947 - 2953

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