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142128-92-5 molecular structure
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2-(methoxymethoxy)-1-[2-(methoxymethoxy)naphthalen-1-yl]naphthalene

ChemBase ID: 139645
Molecular Formular: C24H22O4
Molecular Mass: 374.42908
Monoisotopic Mass: 374.15180918
SMILES and InChIs

SMILES:
COCOc1ccc2ccccc2c1c1c2ccccc2ccc1OCOC
Canonical SMILES:
COCOc1ccc2c(c1c1c(OCOC)ccc3c1cccc3)cccc2
InChI:
InChI=1S/C24H22O4/c1-25-15-27-21-13-11-17-7-3-5-9-19(17)23(21)24-20-10-6-4-8-18(20)12-14-22(24)28-16-26-2/h3-14H,15-16H2,1-2H3
InChIKey:
YIAQRNNJNMLGTP-UHFFFAOYSA-N

Cite this record

CBID:139645 http://www.chembase.cn/molecule-139645.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(methoxymethoxy)-1-[2-(methoxymethoxy)naphthalen-1-yl]naphthalene
IUPAC Traditional name
2-(methoxymethoxy)-1-[2-(methoxymethoxy)naphthalen-1-yl]naphthalene
Synonyms
(R)-2,2'-Bis(methoxymethoxy)-1,1'-binaphthyl
(1R)-2,2’-Bis(methoxymethoxy)-1,1'-binaphthalene
(R)-(+)-2,2’-Bis(methoxymethoxy)-1,1'-binaphthalenyl
(S)-(-)-2,2'-Bis(methoxymethoxy)-1,1'-binaphthyl
2,2′-Bis(methoxymethoxy)-1,1′-binaphthalene
(R)-(+)-2,2′-Bis(methoxymethoxy)-1,1′-binaphthalene
(S)-(-)-2,2′-Bis(methoxymethoxy)-1,1′-binaphthalene
(R)-(+)-2,2'-Bis(methoxymethoxy)-1,1'-binaphthyl
(S)-(-)-2,2'-双(甲氧甲氧基)-1,1'-联萘
2,2′-双(甲氧基甲氧基)-1,1′-联萘
(R)-(+)-2,2′-双(甲氧基甲氧基)-1,1′-联萘
(S)-(-)-2,2′-双(甲氧基甲氧基)-1,1′-联萘
(R)-(+)-2,2'-双(甲氧基甲氧基)-1,1'-联萘
CAS Number
142128-92-5
74292-20-9
173831-50-0
MDL Number
MFCD03788935
PubChem SID
162233893
PubChem CID
10959708

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
LogD (pH = 5.5) 5.410333  LogD (pH = 7.4) 5.410333 
Log P 5.410333  Molar Refractivity 108.727 cm3
Polarizability 46.56004 Å3 Polar Surface Area 36.92 Å2
Rotatable Bonds Lipinski's Rule of Five false 
H Acceptors H Donor

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
100-104 °C(lit.) expand Show data source
101-105 °C(lit.) expand Show data source
101-105°C expand Show data source
92-96 °C(lit.) expand Show data source
Optical Rotation
[α]20/D +92°, c = 1% in chloroform expand Show data source
[α]20/D -90°, c = 1% in chloroform expand Show data source
+94.5 (C=1 in THF) expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
3077 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
9 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
41-50/53 expand Show data source
Safety Statements
25-26-36/39-60-61 expand Show data source
26-39-60-61 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H318-H410 expand Show data source
GHS Precautionary statements
P273-P280-P305 + P351 + P338-P501 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
RID/ADR
UN 3077 9/PG 3 expand Show data source
Purity
97% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
(CH3OCH2OC10H6)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - 631574 external link
Application
3- or 3,3′-di-substituted products can be obtained easily via ortho-metallation and subsequent treatment with an electrophile to give the corresponding BINOL derivatives.1
Packaging
250 mg in glass bottle
Sigma Aldrich - 631655 external link
Packaging
1 g in glass bottle
Sigma Aldrich - 631582 external link
Application
3- or 3,3′-di-substituted products can be obtained easily via ortho-metallation and subsequent treatment with an electrophile to give the corresponding BINOL derivatives.1
Packaging
250 mg in glass bottle
Toronto Research Chemicals - B488500 external link
An intermediate in the symmetric synthesis of BINOL-terpyridine ligands.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Rajaram, A., et al.: Org. Lett., 8, 2019 (2006)
  • • Wong, K., et al.: Coord. Chem. Rev., 251, 2477 (2006)
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PATENTS

PATENTS

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INTERNET

INTERNET

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