tBuBrettPhos

• CAS: 1160861-53-9
• Catalog Number: ACM1160861539
• Category: Organic Phosphine Compounds
• Molecular Weight: 484.705g/mol
• Molecular Formula: C31H49O2P
• 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
• 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.

What is the molecular weight of tBuBrettPhos?

The molecular weight of tBuBrettPhos is 484.7 g/mol.

When was tBuBrettPhos created and last modified?

tBuBrettPhos was created on 2009-10-19 and last modified on 2023-12-02.

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.

How many hydrogen bond donor counts are there in tBuBrettPhos?

There are 0 hydrogen bond donor counts in tBuBrettPhos.

What is the topological polar surface area of tBuBrettPhos?

The topological polar surface area of tBuBrettPhos is 18.5Ų.

How many rotatable bond counts are there in tBuBrettPhos?

There are 9 rotatable bond counts in tBuBrettPhos.

What is the XLogP3-AA value of tBuBrettPhos?

The XLogP3-AA value of tBuBrettPhos is 8.4.

How many heavy atom counts are there in tBuBrettPhos?

There are 34 heavy atom counts in tBuBrettPhos.