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(3-CARBOXYPROPYL)TRIPHENYLPHOSPHONIUM BROMIDE

(3-CARBOXYPROPYL)TRIPHENYLPHOSPHONIUM BROMIDE structure

CAS No:
17857-14-6
Formula:
C22H22BrO2P
Chemical Name:
(3-CARBOXYPROPYL)TRIPHENYLPHOSPHONIUM BROMIDE
Synonyms:
(3-CARBOXYPROPYL)TRIPHENYLPHOSPHONIUM BROMIDE;3-Carboxypropyltriphenylphosphonium bromide 98+%;3-Carboxypropyl triphenylphosphonium bromide,97%;PhosphoniuM,(3-carboxypropyl)triphenyl-, broMide (1:1);3-Carboxypropyltriphenylphosph;(3-Carboxyprop-1-yl)(triphenyl)phosphonium bromide 98+%;(3-Carboxypropyl)triphenylphosphoniuM broMide 98%;(4-Hydroxy-4-oxobutyl)triphenylphosphonium bromide
Categories:
Organic Chemistry > Phosphines

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(3-CARBOXYPROPYL)TRIPHENYLPHOSPHONIUM BROMIDE Basic Attributes

Molecular Weight：

429.29

Exact Mass：

428.054077

BRN：

4173599

EC Number：

-0

DSSTox ID：

DTXSID70443905

HScode：

29319090

Characteristics

PSA：

37.3

XLogP3：

0.84930

Appearance：

White Crystalline Powder, Crystals, or Flakes

Melting Point：

244-247 °C(lit.)

Water Solubility：

soluble in water. soluble in ethanol.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Hazard note：

Irritant/Hygroscopic

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

(3-CARBOXYPROPYL)TRIPHENYLPHOSPHONIUM BROMIDE Use and Manufacturing

Methods of Manufacturing

General procedure: A mixture of ω-bromocarboxylic acid (1 equiv) and triphenylphosphine (1 equiv) in 300 mL of toluene was refluxed for 48 h under argon. The mixture was allowed to cool at room temperature and concentrated in vacuum. The residue was crystallized from various solvents to give the corresponding phosphonium salt.General procedure: Triphenylphosphine (3.76g, 14.34mmol) and ethyl 4-bromobutyrate (2.0g, 10.25mmol) were added to a dried round bottom flask under argon. The reaction mixture was heated to 120°C under condenser for 16h after which the reaction was allowed to come to room temperature. CHCompound 14 was synthesized according to the method of Yeung.Experimental procedure: Take a 250mL single-mouth round bottom flask, 4-bromobutyric acid 1 (15.0 g, 1.0 eq) was added in succession.MeCN (120.0 mL) and triphenylphosphine (23.6 g, 1.0 eq).Heat to reflux, reflux temperature 105 °C, The reaction solution was a yellow liquid and reacted for about 2 days.Post-reaction treatment: The reaction system was directly filtered with a fritted funnel, washed with diethyl ether, and then vacuum-dried to obtain a white solid with a yield of 64.2percent.

Uses

It is used as antimalarial agents, antimycobacterial agents,antifungal agents, inhibitors of protein tyrosine phosphatase.

Computed Properties

Molecular Weight:429.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:428.05408
Monoisotopic Mass:428.05408
Topological Polar Surface Area:37.3
Heavy Atom Count:26
Complexity:359
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of (3-CARBOXYPROPYL)TRIPHENYLPHOSPHONIUM BROMIDE

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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(3-CARBOXYPROPYL)TRIPHENYLPHOSPHONIUM BROMIDE

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