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Research chemical

(S)-4-Benzyl-2-(2-(diphenylphosphino)benzyl)-4,5-dihydrooxazole

CAS Number: 947618-05-5

Chemical structure
(S)-4-Benzyl-2-(2-(diphenylphosphino)benzyl)-4,5-dihydrooxazole molecular structure, CAS 947618-05-5

Product details

Identity & specification

Molecular formula
C29H26NOP
Molecular weight
435.5 g/mol
Product type
Research-use catalog compound
Documentation
COA / SDS available by request

For laboratory research and professional procurement workflows.

Technical identifiers

Show PubChem, InChIKey, IUPAC, and SMILES

PubChem CID

166595005

Exact Mass

435.1752

InChIKey

DUGMNGBDTQMIDH-VWLOTQADSA-N

IUPAC Name

[2-[[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]-diphenylphosphane

SMILES String

C1(P(C2=CC=CC=C2)C3=CC=CC=C3)=C(CC4=N[C@@H](CC5=CC=CC=C5)CO4)C=CC=C1

Physical Properties

Appearance

Liquid or Semi-Solid or Solid or Lump

Physical State

solid or liquid

Show more physical data

XLogP

6.1

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Computed Structure Descriptors

Show calculated structure fields

Heavy atom count

32

H-bond acceptors

2

H-bond donors

0

Rotatable bonds

7

Ring count

5

Aromatic rings

4

Topological polar surface area

21.59 Ų

Computed LogP

5.03

Fragment-like structure rule

No

Lead-like structure rule

No

Drug-like structure rule

Yes

Structure family

phosphine ligand

Precious metal motif

No

Transition metal motif

No

Phosphine ligand motif

Yes

N-heterocycle motif

Yes

Boronic acid motif

No

Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.

Catalog Facts

Structural features

Research Catalog Compound with Phosphine Ligand (CAS 947618-05-5) is listed for phosphine ligand sourcing for catalyst or coordination screening.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Typical research procurement context: ligand-focused research workflows where steric and electronic fit are reviewed by the buyer, with buyer review before selection.

Documentation needs

Preliminary handling notes only; confirm supplier SDS before handling. Review storage, transport, and documentation requirements internally before order acceptance.

Applications & Classification

Research intermediateCustom synthesis building blockCatalysts & ligands sourcingPhosphine ligand sourcingResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow

Safety & Handling

Handling & Storage

  • Keep container tightly closed and dry.
  • Store in a well-ventilated place.

First Aid

  • Do not give anything to an unconscious person.
  • Rinse mouth with water.

Stability / Reactivity

  • Reactivity and reaction.
  • Carbon monoxide, carbon dioxide, nitrogen oxides, phosphorus oxides.

Disposal

  • Dispose of remaining and non-recyclable solutions to a licensed company.
  • Contact a professional agency with waste disposal license to handle this substance.
Show additional safety reference fields

Fire Fighting

  • Use self-contained breathing apparatus if necessary.

Accidental Release

  • Do not generate dust when collecting and disposing.
  • Sweep and shovel up.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Preliminary Safety Reference

For supplier-issued SDS or COA, submit a documentation request.

Safety Reference / SDS Request

Procurement questions

What are the key identifiers for (S)-4-Benzyl-2-(2-(diphenylphosphino)benzyl)-4,5-dihydrooxazole (CAS 947618-05-5)?

(S)-4-Benzyl-2-(2-(diphenylphosphino)benzyl)-4,5-dihydrooxazole is identified by CAS 947618-05-5, with molecular formula C29H26NOP, molecular weight 435.5, InChIKey DUGMNGBDTQMIDH-VWLOTQADSA-N.

Can I request a COA for CAS 947618-05-5?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for (S)-4-Benzyl-2-(2-(diphenylphosphino)benzyl)-4,5-dihydrooxazole?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 947618-05-5 available for quotation?

Availability, pack size, lead time, and pricing are confirmed through RFQ.

Can MolGraph support bulk sourcing or custom synthesis review?

Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.