6-bromo-1-[6-bromo-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene

• ChemBase编号: 134860
• 分子式: C24H20Br2O4
• 平均质量: 532.2212
• 单一同位素质量: 529.97283312
• SMILES: COCOc1ccc2cc(ccc2c1c1c2ccc(cc2ccc1OCOC)Br)Br
• Canonical SMILES: COCOc1ccc2c(c1c1c(OCOC)ccc3c1ccc(c3)Br)ccc(c2)Br
• InChI: InChI=1S/C24H20Br2O4/c1-27-13-29-21-9-3-15-11-17(25)5-7-19(15)23(21)24-20-8-6-18(26)12-16(20)4-10-22(24)30-14-28-2/h3-12H,13-14H2,1-2H3
• InChIKey: UPLLZDVWXACTEG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-bromo-1-[6-bromo-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene
• IUPAC传统名: 6-bromo-1-[6-bromo-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene
• 别名: (R)-(+)-6,6′-二溴-2,2′-双(甲氧基甲氧基)-1,1′-联萘; (S)-(-)-6,6′-二溴-2,2′-双(甲氧基甲氧基)-1,1′-联萘; (1R)-6,6'-dibromo-2,2'-bis(methoxymethoxy)-1,1'-binaphthalene; (R)-(+)-6,6'-Dibromo-2,2'-bis(methoxymethoxy)-1,1'-binaphthyl; (R)-6,6'-Dibromo-2,2'-bis(methoxymethoxy)-1,1'-binaphthyl; (R)-(+)-6,6′-Dibromo-2,2′-bis(methoxymethoxy)-1,1′-binaphthalene; (S)-(-)-6,6′-Dibromo-2,2′-bis(methoxymethoxy)-1,1′-binaphthalene; (r)-(+)-6,6'-dibromo-2,2'-bis(methoxymethoxy)-1,1'-biNaphthalene

登记号

• CAS号: 211560-97-3; 179866-74-1
• MDL号: MFCD03788936
• PubChem SID: 24882431; 162229136
• PubChem CID: 10839989

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 6.9478383
• LogD (pH = 7.4): 6.9478383
• Log P: 6.9478383
• 摩尔折射率: 123.9726 cm^3
• 极化性: 51.720333 Å^3
• 极化表面积: 36.92 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 129-133 °C(lit.)
• 比旋光度: [α]20/D +19.5°, c = 1% in chloroform; [α]20/D -18, c = 1 in chloroform

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 41
• 安全公开号: 25-26-36/39
• GHS危险品标识: GHS05
• GHS警示词: Danger
• GHS危险声明: H318-H413
• GHS警示性声明: P280-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: 97%
• 线性分子式: (CH3OCH2OC10H5Br)2

详细说明

Sigma Aldrich - 631590

包装
250 mg in glass bottle

Sigma Aldrich - 631604

包装
250 mg in glass bottle

Toronto Research Chemicals - D425075

An intermediate in the symmetric synthesis of BINOL-terpyridine ligands.

参考文献

• Rajaram, A., et al.: Org. Lett., 8, 2019 (2006)
• Wong, K., et al.: Coord. Chem. Rev., 251, 2477 (2006)