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Structure

2-(HYDROXYMETHYL)-12-CROWN 4-ETHER

CAS
75507-26-5
Catalog Number
ACM75507265
Category
Other Products
Molecular Weight
206.24g/mol
Molecular Formula
C9H18O5

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Specification

IUPAC Name
1,4,7,10-tetraoxacyclododec-2-ylmethanol
Canonical SMILES
C1COCCOC(COCCO1)CO
InChI
InChI=1S/C9H18O5/c10-7-9-8-13-4-3-11-1-2-12-5-6-14-9/h9-10H,1-8H2
InChI Key
NJIPEIQHUNDGPY-UHFFFAOYSA-N
Complexity
130
Covalently-Bonded Unit Count
1
EC Number
278-224-5
Exact Mass
206.115424g/mol
Formal Charge
0
H-Bond Acceptor
5
H-Bond Donor
1
Heavy Atom Count
14
Monoisotopic Mass
206.115424g/mol
Rotatable Bond Count
1
XLogP3
-1.2

Upstream Synthesis Route 1

  • 90655-78-0
  • 75507-26-5

Reference: [1]Ikeda, Isao; Emura, Hiroshi; Okahara, Mitsuo
[Synthesis, 1984, # 1, p. 73 - 74]

Upstream Synthesis Route 2

  • 75507-20-9
  • 75507-26-5

Reference: [1]Ikeda, Isao; Yamamura, Shingo; Nakatsuji, Yohji; Okahara, Mitsuo
[Journal of Organic Chemistry, 1980, vol. 45, # 26, p. 5355 - 5358]
[2]Miyazaki, Takeshi; Yanagida, Shozo; Itoh, Akira; Okahara, Mitsuo
[Bulletin of the Chemical Society of Japan, 1982, vol. 55, # 7, p. 2005 - 2009]

Downstream Synthesis Route 1

  • 111-83-1
  • 75507-26-5
  • 96047-83-5

Reference: [1]Miyazaki, Takeshi; Yanagida, Shozo; Itoh, Akira; Okahara, Mitsuo
[Bulletin of the Chemical Society of Japan, 1982, vol. 55, # 7, p. 2005 - 2009]
[2]Gobbi, Alessandro; Landini, Dario; Maia, Angelamaria; Penso, Michele
[Journal of the Chemical Society. Perkin Transactions 2 (2001), 1996, vol. 0, # 11, p. 2505 - 2509]

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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