4,4'-Bis(1,1-dimethylethyl)-1,1'-biphenyl

HCID 74195CAS 1625-91-8
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2)cc1
InChIKey
CDKCEZNPAYWORX-UHFFFAOYSA-N
Molecular formula
C20H26
Average molar mass
266.4 g/mol
Monoisotopic mass
266.20345083

Overview

used in ammonia-free reductions

Names & identifiers

Preferred name
4,4'-Bis(1,1-dimethylethyl)-1,1'-biphenyl
IUPAC
1-tert-butyl-4-(4-tert-butylphenyl)benzene
English name
4,4'-Di-tert-butylbiphenyl
Molecular formula
C20H26
Molecular weight
266.42

Names & synonyms

1625-91-84,4'-di-tert-Butylbiphenyl4,4'-Di-tert-butyl-1,1'-biphenylDTXSID404819343DA8ZRT2NDTXCID50281684,4'-Bis(1,1-dimethylethyl)-1,1'-biphenylDBB biphenyl cpdDTBB cpdRefChem:506592216-615-41-tert-butyl-4-(4-tert-butylphenyl)benzene
Show more names
4,4′-Bis(1,1-dimethylethyl)-1,1′-biphenyl4,4'-Di-tert-butyLTIMTEC-BB SBB0078124,4'-Di-t-butylbiphenyl, 99+%4,4'-Di-tert-butylbiphenyl>4,4'-Bis(tert-butyl)-biphenyl
4,4'-di-t-Butylbiphenyl1,1'-Biphenyl, 4,4'-bis(1,1-dimethylethyl)-C20H26MFCD000088341-(tert-butyl)-4-[4-(tert-butyl)phenyl]benzeneEINECS 216-615-44,4'-di-tert-butyl biphenyl4,4/'-Di-tert-Butylbiphenyl

Database identifiers

CAS
1625-91-8
PubChem CID
74195
DTXSID
DTXSID4048193
ChEMBL
CHEMBL3187007
UNII
43DA8ZRT2N
EC Number
216-615-4
Nikkaji
J80.265D

Properties

Computed structural properties

XLogP
7.7
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
3
Heavy atoms
20

Physicochemical properties

Melting point
126 · 126-130 °C(lit.)
Boiling point
190 · 190-192 °C13 mm Hg(lit.)
Density
0.9463 · 0.9463 (estimate)
refractive index
1.5928 · 1.5928 (estimate)
Flash point
190 · 190-192°C/13mm
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
hs_code
29029090
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
22-24/25

Chemistry & industry

Applications · 2 items

UsesIt is used in the generation of 1,2-di(lithiomethyl)benzene. It is found to accept electrons from Li metal to give a radical anion which is highly effective in the conversion of alkyl halides to alkyllithiums. 4,4-Di-tert-butylbiphenyl is used in production of homoallylic amine derivatives. It is also used in the preparation of lithium di-tert-butylbiphenylide, a radical anion, superior to sodium or lithium naphthalenides for metalation reactions. Along with lithium, 4,4-Di-tert-butylbiphenyl catalyzes; reaction of chloromethyl ethyl ether and different carbonyl compounds to yield corresponding hydroxyethers and reductive opening of N-phenylazetidine.

General Description4,4′-Di-tert-butylbiphenyl along with lithium catalyzes:reaction of chloromethyl ethyl ether and different carbonyl compounds to yield corresponding hydroxyethersreductive opening of N-phenylazetidine

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]

Related reactions

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