tBuBrettPhos

• Catalog Number: ACM1160861539
• Product Name: tBuBrettPhos
• CAS: 1160861-53-9
• Category: Organic Phosphine Compounds
• Synonyms: ditert-butyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane; Di(tert-butyl)(2 inverted exclamation mark ,4 inverted exclamation mark ,6 inverted exclamation mark -triisopropyl-3,6-dimethoxybiphenyl-2-yl)phosphine; ZINC71773515; REWLCYPYZCHYSS-UHFFFAOYSA-N; di-tert-butyl(2',4',6'-triisopropyl-3,6-dimethoxy-[1,1'-biphenyl]-2-yl)phosphane; 2-(Di-t-butylphosphino)-3,6-dimethoxy-2'-4'-6'-tri-i-propyl-1,1'-biphenyl,min. 98% t-butylbrettphos; tBuBrettPhos, 97%; t-BuBrett-Phos; T-BUTYLBRETTPHOS; CS-W011518
• IUPAC Name: ditert-butyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
• Molecular Weight: 484.705g/mol
• Molecular Formula: C31H49O2P
• Canonical SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C(C)(C)C)C(C)(C)C)OC)OC)C(C)C
• InChI: InChI=1S/C31H49O2P/c1-19(2)22-17-23(20(3)4)27(24(18-22)21(5)6)28-25(32-13)15-16-26(33-14)29(28)34(30(7,8)9)31(10,11)12/h15-21H,1-14H3
• InChI Key: REWLCYPYZCHYSS-UHFFFAOYSA-N
• Application: Ligand used in the Pd-catalyzed conversion of aryl and vinyl triflates to bromides and chlorides.; ; Ligand used in the Pd-catalyzed O-arylation of ethyl acetohydroximates.; ; Ligand used in the Pd-catalyzed conversion of aryl chlorides, triflates, and nonaflates to nitroaromatics.; ; Ligand used in the Pd-catalyzed cross-coupling of amides and aryl mesylates.
• Complexity: 582
• Covalently-Bonded Unit Count: 1
• Exact Mass: 484.347g/mol
• H-Bond Acceptor: 2
• Heavy Atom Count: 34
• Monoisotopic Mass: 484.347g/mol
• Rotatable Bond Count: 9
• Topological Polar Surface Area: 18.5A^2

Custom Q&A

What is the molecular formula of tBuBrettPhos?

The molecular formula of tBuBrettPhos is C31H49O2P.

When was tBuBrettPhos created and last modified?

tBuBrettPhos was created on 2009-10-19 and last modified on 2023-12-30.

What is the IUPAC name of tBuBrettPhos?

The IUPAC name of tBuBrettPhos is ditert-butyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane.

What is the InChIKey of tBuBrettPhos?

The InChIKey of tBuBrettPhos is REWLCYPYZCHYSS-UHFFFAOYSA-N.

What is the Canonical SMILES representation of tBuBrettPhos?

The Canonical SMILES representation of tBuBrettPhos is CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C(C)(C)C)C(C)(C)C)OC)OC)C(C)C.

What is the CAS number of tBuBrettPhos?

The CAS number of tBuBrettPhos is 1160861-53-9.

What is the molecular weight of tBuBrettPhos?

The molecular weight of tBuBrettPhos is 484.7 g/mol.

How many hydrogen bond acceptor counts does tBuBrettPhos have?

tBuBrettPhos has 2 hydrogen bond acceptor counts.

What is the topological polar surface area of tBuBrettPhos?

The topological polar surface area of tBuBrettPhos is 18.5?2.

How many rotatable bond counts does tBuBrettPhos have?

tBuBrettPhos has 9 rotatable bond counts.