tBuBrettPhos - ≥97% , CAS No.1160861-53-9

CAS: 1160861-53-9 Cat. No.: T138061 分子式: C₃₁H₄₉O₂P 分子量: 484.69 EC番号: 811-756-3 PubChem CID: 44233348

GRADE & PURITY ≥97%

Synonyms

tBuBrettPhos | di-tert-butyl[3,6-dimethoxy-2',4',6'-tris(propan-2-yl)-[1,1'-biphenyl]-2-yl]phosphane | ditert-butyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane | DTXSID70657989 | AS-19329 | MB12376 | D5663 | 1,3 benzendiammina | Di-ter

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

同義語

tBuBrettPhos | di-tert-butyl[3,6-dimethoxy-2',4',6'-tris(propan-2-yl)-[1,1'-biphenyl]-2-yl]phosphane | ditert-butyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane | DTXSID70657989 | AS-19329 | MB12376 | D5663 | 1,3 benzendiammina | Di-ter

仕様と純度

≥97%

保管条件

Argon charged,Room temperature

入荷

Normal

純度

≥97%

名前と識別子

• パブケム・シド: 488200982
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488200982
• カノニカル・スマイル: 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
• IUPAC Name: ditert-butyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
• InChIKey: REWLCYPYZCHYSS-UHFFFAOYSA-N
• 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
• 異性体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
• WGKドイツ: 3
• PubChem CID: 44233348
• 分子量: 484.69

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Monocyclic monoterpenoids Dimethoxybenzenes Aromatic monoterpenoids Phenylpropanes Cumenes Phenoxy compounds Anisoles Alkyl aryl ethers Organic phosphines and derivatives Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Dimethoxybenzene - P-dimethoxybenzene - Cumene - Phenylpropane - Phenol ether - Anisole - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Phosphine - Ether - Organophosphorus compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

化学的性質と物理的性質

• 感度: air sensitive
• 融点（°C）: 171 °C
• 分子量: 484.700 g/mol
• XLogP3: 8.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 484.347 Da
• Monoisotopic Mass: 484.347 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 582.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

よくある質問

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1160861-53-9, the molecular formula is C31H49O2P, and the molecular weight is 484.69 g/mol. InChIKey REWLCYPYZCHYSS-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.