2-Iodobenzyl alcohol - CAS 5159-41-1

Catalog:	BB027509
Product Name:	2-Iodobenzyl alcohol
CAS:	5159-41-1
Synonyms:	(2-iodophenyl)methanol

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	(2-iodophenyl)methanol
Description:	2-Iodobenzyl Alcohol can be used for catalytic assymetric allylation.
Molecular Weight:	234.03
Molecular Formula:	C7H7IO
Canonical SMILES:	C1=CC=C(C(=C1)CO)I
InChI:	InChI=1S/C7H7IO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2
InChI Key:	WZCXOBMFBKSSFA-UHFFFAOYSA-N
Boiling Point:	288.3 °C at 760 mmHg
Density:	1.867 g/cm³
Appearance:	White to off-white solid
MDL:	MFCD00004610
LogP:	1.78350

Publication Number	Title	Priority Date
CN-113354655-A	Bibenzo [5,6] spiroketal compound and preparation method thereof	20210527
CN-113372184-A	Method for synthesizing C-N axis chiral phenanthridinone compound based on chiral transfer strategy	20210326
CZ-34625-U1	Purine nucleoside phosphorylase inhibitors for the treatment of T-cell acute lymphoblastic leukemia and lymphomas	20201026
CN-111518105-A	Preparation method of glycocyclo-pyrrole cyclic compound	20200522
WO-2021193950-A1	Carbodiimide composition, hardener composition, coating composition, and cured resin object	20200327

PMID	Publication Date	Title	Journal
16621572	20060801	A new structural theme in C2-symmetric HIV-1 protease inhibitors: ortho-substituted P1/P1' side chains	Bioorganic & medicinal chemistry
16468726	20060216	Palladium-catalyzed multistep reactions involving ring closure of 2-iodophenoxyallenes and ring opening of bicyclic alkenes	Organic letters
12010023	20020522	Synthesis of seven-membered lactones via nickel- and zinc-catalyzed highly regio- and stereoselective cyclization of 2-iodobenzyl alcohols with propiolates	Journal of the American Chemical Society

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Related Functional Groups

Alcohols and Derivatives

[58287-18-6]
(1R)-1-(4-Nitrophenyl)ethanol
[113724-48-4]
(R)-1-(2-Methoxyphenyl)ethanol
[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[112256-09-4]
1-Cyclopentyl-2-propyn-1-ol
[18621-17-5]
1-Benzhydrylazetan-3-ol
[4780-79-4]
1-Naphthalenemethanol

Oxygen Compounds

[77987-49-6]
Z-Glycinol
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[5416-55-7]
2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	85
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	233.95416
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	233.95416
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2