4,4'-Bis(1,1-dimethylethyl)-1,1'-biphenyl (HCID 74195)

概要

used in ammonia-free reductions

名称と識別子

優先名称: 4,4'-Bis(1,1-dimethylethyl)-1,1'-biphenyl
IUPAC: 1-tert-butyl-4-(4-tert-butylphenyl)benzene
現地名: 4,4'-ジ-tert-ブチルビフェニル
英語名: 4,4'-Di-tert-butylbiphenyl
分子式: C20H26
分子量: 266.42

名称と別名

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

名称をさらに表示

4,4'-ジ-tert-ブチルビフェニル4,4'-ジ-tert-ブチル-1,1'-ビフェニル4,4'-ジtert-ブチルビフェニル4,4'-ジ(tert-ブチル)ビフェニル4,4′-ジ-TERT-ブチルビフェニル4,4′‐ジ‐TERT‐ブチルビフェニル4,4'-ジ-T-ブチルビフェニル4,4'-ジ-tert-ブチルビフェニル, 99%4,4′-ジ(tert-ブチル)ビフェニル4,4′-ジtert-ブチルビフェニル4,4′-ジ-tert-ブチル-1,1′-ビフェニル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

データベース識別子

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

物性

構造計算による物性

XLogP: 7.7
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 0
回転可能結合数: 3
重原子数: 20
形式電荷: 0
複雑度: 253

物理化学的性質

融点: 126 · 126-130 °C(lit.)
沸点: 190 · 190-192 °C13 mm Hg(lit.)
比重(密度): 0.9463 · 0.9463 (estimate)
屈折率: 1.5928 · 1.5928 (estimate)
闪点: 190 · 190-192°C/13mm
貯蔵温度: Sealed in dry,Room Temperature
溶解性: 0.1 g/mL、透明 · ジオキサン: 0.1 g/mL、透明
外見: 結晶性粉末
色: 薄黄色～黄橙色
BRN: 2095855 · 2095855
InChI: InChI=1S/C20H26/c1-19(2,3)17-11-7-15(8-12-17)16-9-13-18(14-10-16)20(4,5)6/h7-14H,1-6H3
InChIKey: CDKCEZNPAYWORX-UHFFFAOYSA-N
SMILES: C1(C2=CC=C(C(C)(C)C)C=C2)=CC=C(C(C)(C)C)C=C1
CAS データベース: 1625 · 1625-91-8(CAS DataBase Reference)
NISTの化学物質情報: 4 · 4,4'-Di-tert-butylbiphenyl(1625-91-8)

化学的性質

化学的特性Powder

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
hs_code: 29029090
safety_code: 22-24/25
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 3 件

用途有機合成原料。

使用It 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.

一般的な説明4,4′-Di-tert-butylbiphenyl along with lithium catalyzes:reaction of chloromethyl ethyl ether and different carbonyl compounds to yield corresponding hydroxyethersreductive opening of N-phenylazetidine