HRID 1313384As catalystHigh-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
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Basic information
- CAS
1805783-60-1- Standard SMILES
CCCCc1c(F)c(F)c(-c2c(C(C)C)cc(C(C)C)c(-c3cccc(OC)c3P(C34CC5CC(CC(C5)C3)C4)C34CC5CC(CC(C5)C3)C4)c2C(C)C)c(F)c1F- InChIKey
ALWIRDZSIXWCBO-UHFFFAOYSA-N- Molecular formula
- C52H67F4OP
- Average molar mass
- 815.1 g/mol
- Monoisotopic mass
- 814.4865664
Names & identifiers
- Preferred name
- AlPhos
- IUPAC
- bis(1-adamantyl)-[2-[3-(4-butyl-2,3,5,6-tetrafluorophenyl)-2,4,6-tri(propan-2-yl)phenyl]-6-methoxyphenyl]phosphane
- English name
- AlPhos
- Molecular formula
- C52H67F4OP
- Molecular weight
- 815.06
Names & synonyms
AlPhos1805783-60-1AlPhos Pd G6 BrBis(1-adamantyl)-[2-[3-(4-butyl-2,3,5,6-tetrafluorophenyl)-2,4,6-tri(propan-2-yl)phenyl]-6-methoxyphenyl]phosphaneMFCD299050232097600-15-06-Methoxy-2-{2,4,6-tri-i-propyl-3-[(2,3,5,6-tetrafluoro-4-butyl )phenyl]phenyl}diadamantyl phosphine[4''-Butyl-2'',3'',5'',6''-tetrafluoro-3-methoxy-2',4',6'-tris(1-methylethyl)[1,1':3',1''-terphenyl]-2-yl]bis(tricyclo[3.3.1.1(3,7)]dec-1-yl)phosphinebis(adamantan-1-yl)({2-[4'-butyl-2',3',5',6'-tetrafluoro-2,4,6-tris(propan-2-yl)-[1,1'-biphenyl]-3-yl]-6-methoxyphenyl})phosphaneC52H67F4OPSCHEMBL31090692DTXSID001365631
Show more names
6-Methoxy-2-{2,4,6-tri-i-propyl-3-[(2,3,5,6-tetrafluoro-4-butyl3',1''-terphenyl]-2-yl]bis(tricyclo[3.3.1.1(3,7)]dec-1-yl)phosphine6-Methoxy-2-{2,4,6-tri-i-propyl-3-[(2,3,5,6-tetrafluoro-4-butyl,AlPhos[4''-Butyl-2'',3'',5'',6''-tetrafluoro-3-methoxy-2',4',6'-tris(1-methylethyl)[1,1'6-Methoxy-2-{2,4,6-tripropyl-3-[(2,3,5,6-tetrafluorocyclopentyl)phenyl]phenyl}diphenylphosphine
Properties
Computed structural propertiesFilling in
- XLogP
- 15.7
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,270
Physicochemical properties
- Melting point
- 218 · 218-223 °C
- storage temp.
- -20 °C · -20°C
- form
- Powder
- color
- white to yellow
- Sensitive
- air sensitive
- InChIKey
- ALWIRDZSIXWCBO-UHFFFAOYSA-N
- SMILES
- P(C1=C(OC)C=CC=C1C1=C(C(C)C)C=C(C(C)C)C(C2=C(F)C(F)=C(CCCC)C(F)=C2F)=C1C(C)C)(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
- UNSPSC Code
- 12161600 · 12161600
- NACRES
- 22 · NA.22
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesAlPhos is used in the selective arylation of aminophenylalanine in unprotected peptides with organometallic palladium reagents.
General DescriptionAlPhos is a versatile, highly efficient ligand used extensively in various important organic transformations. Recognized for its unique structure and attributes, AlPhos serves as an impressive catalyst that enables several key synthetic processes. It is primarily used in the following coupling reactions: Buchwald-Hartwig cross coupling, Suzuki-Miyaura coupling, Stille coupling, Sonogashira coupling, Negishi coupling, Heck coupling, Hiyama coupling reaction. With its remarkable performance across these reactions, AlPhos represents an invaluable tool in preparing and producing pharmaceuticals, agrochemicals, and polymers.
Suppliers34 total
韶远科技(上海)有限公司4000665055 · [email protected]
新乡市润宇新材料科技有限公司15690792173 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Protheragen-ING+86-15618352007 · [email protected]
Related reactions
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HRID 1313385As catalystHigh-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
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Compound notes
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