(S)-DTBM-SEGPHOS - ≥98% , CAS No.210169-40-7

CAS: 210169-40-7 Cat. No.: S463308 Molecular Weight: 1179.53 EC Number: 811-888-1
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
(R)-5,5 inverted exclamation mark -Bis[bis(3,5-di-tert-butyl-4-methoxyphenyl)phosphino]-4,4 inverted exclamation mark -bibenzo[d][1,3]dioxole | SY068562 | (S)-DTBM-SEGPHOS | (R)-(-)-DTBM-SEGPHOS(regR) | SCHEMBL28341 | ZNORAFJUESSLTM-UHFFFAOYSA-N | 3-(4-br
Storage
Argon charged,Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
50mg
S463308-50mg
4

$10.90

$16.90
Save $6.00 (35.50%)
100mg
S463308-100mg
3

$17.90

$26.90
Save $9.00 (33.46%)
250mg
S463308-250mg
3

$36.90

$55.90
Save $19.00 (33.99%)
1g
S463308-1g
4

$118.90

$178.90
Save $60.00 (33.54%)
5g
S463308-5g
2

$337.90

$506.90
Save $169.00 (33.34%)
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Argon charged,Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Description

Takasago Ligands and Complexes for Asymmetric ReactionsCatalytic ligand for:Enantioselective synthesis of secondary allylic alcohols via enantioselective reductions of α,β-unsaturated ketonesStereoselective preparation of cyclohexanone derivatives via rhodium-catalyzed rearrangement of allyl or allenic cyclobutanolsCu-catalyzed asymmetric conjugate reduction of beta-substituted unsaturated phosphonates to give optically active beta-stereogenic alkylphosphonatesAsymmetric synthesis of cyclohexenones via Rh-catalyzed desymmetrization through enantioselective C-C bond activation and ring expansion of allenyl cyclobutanolsEnantioselective synthesis and crystal structure of P-stereogenic alkynylphosphine oxides by Rh-catalyzed [2+2+2] cycloaddition

Specifications

Synonyms
(R)-5, 5 inverted exclamation mark -Bis[bis(3, 5-di-tert-butyl-4-methoxyphenyl)phosphino]-4, 4 inverted exclamation mark -bibenzo[d][1, 3]dioxole | SY068562 | (S)-DTBM-SEGPHOS | (R)-(-)-DTBM-SEGPHOS(regR) | SCHEMBL28341 | ZNORAFJUESSLTM-UHFFFAOYSA-N | 3-(4-br
Specifications & Purity
≥98%
Storage
Argon charged, Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid488197267
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488197267
Canonical SmilesCC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)P(C2=C(C3=C(C=C2)OCO3)C4=C(C=CC5=C4OCO5)P(C6=CC(=C(C(=C6)C(C)(C)C)OC)C(C)(C)C)C7=CC(=C(C(=C7)C(C)(C)C)OC)C(C)(C)C)C8=CC(=C(C(=C8)C(C)(C)C)OC)C(C)(C)C
IUPAC Name[4-[5-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphanyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphane
InChIKeyZNORAFJUESSLTM-UHFFFAOYSA-N
INCHI1S/C74H100O8P2/c1-67(2,3)47-33-43(34-48(61(47)75-25)68(4,5)6)83(44-35-49(69(7,8)9)62(76-26)50(36-44)70(10,11)12)57-31-29-55-65(81-41-79-55)59(57)60-58(32-30-56-66(60)82-42-80-56)84(45-37-51(71(13,14)15)63(77-27)52(38-45)72(16,17)18)46-39-53(73(19,20)21)64(78-28)54(40-46)74(22,23)24/h29-40H,41-42H2,1-28H3
Isomeric SMILES CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)P(C2=C(C3=C(C=C2)OCO3)C4=C(C=CC5=C4OCO5)P(C6=CC(=C(C(=C6)C(C)(C)C)OC)C(C)(C)C)C7=CC(=C(C(=C7)C(C)(C)C)OC)C(C)(C)C)C8=CC(=C(C(=C8)C(C)(C)C)OC)C(C)(C)C
WGK Germany 3
Molecular Weight 1179.53
Reaxy-Rn 8893429
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8893429&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassPhenylphosphines and derivatives
Intermediate Tree Nodes Not available
Direct ParentPhenylphosphines and derivatives
Alternative Parents Phenylpropanes  Benzodioxoles  Phenoxy compounds  Methoxybenzenes  Anisoles  Alkyl aryl ethers  Organic phosphines and derivatives  Oxacyclic compounds  Acetals  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Triphenylphosphine - Phenylpropane - Benzodioxole - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Phenylphosphine - Alkyl aryl ether - Phosphine - Oxacycle - Organoheterocyclic compound - Ether - Acetal - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenylphosphines and derivatives. These are compounds containing a phenylphosphine, which consists of phosphine substituent bound to a phenyl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

10 results found

Lot NumberCertificate TypeDateItem
F2309283Certificate of AnalysisMar 11, 2026 S463308
F2309416Certificate of AnalysisMar 11, 2026 S463308
F2309418Certificate of AnalysisMar 11, 2026 S463308
F2309419Certificate of AnalysisMar 11, 2026 S463308
F2309420Certificate of AnalysisMar 11, 2026 S463308
F2309421Certificate of AnalysisMar 11, 2026 S463308
F2309422Certificate of AnalysisMar 11, 2026 S463308
F2309423Certificate of AnalysisMar 11, 2026 S463308
F2309449Certificate of AnalysisMar 11, 2026 S463308
F2309452Certificate of AnalysisMar 11, 2026 S463308
Chemical and Physical Properties
SensitivityAir sensitive;Moisture sensitive
Melt Point(°C)126-128°C
Molecular Weight1179.500 g/mol
XLogP321.800
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count19
Exact Mass1178.69 Da
Monoisotopic Mass1178.69 Da
Topological Polar Surface Area73.800 Ų
Heavy Atom Count84
Formal Charge0
Complexity1750.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
Solution Calculators
Reviews

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