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4826-71-5

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4826-71-5 Usage

Flammability and Explosibility

Notclassified

Check Digit Verification of cas no

The CAS Registry Mumber 4826-71-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,8,2 and 6 respectively; the second part has 2 digits, 7 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 4826-71:
(6*4)+(5*8)+(4*2)+(3*6)+(2*7)+(1*1)=105
105 % 10 = 5
So 4826-71-5 is a valid CAS Registry Number.
InChI:InChI=1/C5H14NO4P.Ca.ClH/c1-6(2,3)4-5-10-11(7,8)9;;/h4-5H2,1-3H3,(H-,7,8,9);;1H/q;+2;/p-2

4826-71-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name Calcium phosphorylcholine chloride

1.2 Other means of identification

Product number -
Other names PHOSPHOCHOLINE CHLORIDE CALCIUM SALT

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:4826-71-5 SDS

4826-71-5Synthetic route

phosphorylcholine chloride calcium salt tetrahydrate
72556-74-2, 137734-45-3

phosphorylcholine chloride calcium salt tetrahydrate

A

phosphorylcholine chloride, calcium salt
4826-71-5

phosphorylcholine chloride, calcium salt

B

H2O

H2O

Conditions
ConditionsYield
at 25℃; Thermodynamic data; ΔH0;
phosphorylcholine calcium salt monohydrate
137753-74-3

phosphorylcholine calcium salt monohydrate

A

phosphorylcholine chloride, calcium salt
4826-71-5

phosphorylcholine chloride, calcium salt

B

H2O

H2O

Conditions
ConditionsYield
at 25℃; Thermodynamic data; ΔH0, ΔG0, ΔS0;
phosphorylcholine chloride
107-73-3

phosphorylcholine chloride

phosphorylcholine chloride, calcium salt
4826-71-5

phosphorylcholine chloride, calcium salt

Conditions
ConditionsYield
With calcium hydroxide In water pH=7.8; pH-value;
choline chloride
67-48-1

choline chloride

phosphorylcholine chloride, calcium salt
4826-71-5

phosphorylcholine chloride, calcium salt

Conditions
ConditionsYield
Stage #1: choline chloride With phosphoric acid at 25 - 120℃; for 6h;
Stage #2: With calcium hydroxide In water at 25℃; for 0.166667h;
100 g
Stage #1: choline chloride With phosphoric acid at 25 - 120℃; for 6h;
Stage #2: With calcium hydroxide In water at 25℃; for 0.166667h;
phosphorylcholine chloride, calcium salt
4826-71-5

phosphorylcholine chloride, calcium salt

phosphorylcholine chloride potassium salt

phosphorylcholine chloride potassium salt

Conditions
ConditionsYield
With potassium hydrogencarbonate In water at 65℃; for 6h; Reagent/catalyst; Temperature;99.6%
phosphorylcholine chloride, calcium salt
4826-71-5

phosphorylcholine chloride, calcium salt

phosphorylcholine chloride
107-73-3

phosphorylcholine chloride

Conditions
ConditionsYield
Stage #1: phosphorylcholine chloride, calcium salt With oxalic acid In water at 50℃; for 2h;
Stage #2: With ethylenediaminetetraacetic acid In water
95%
With oxalic acid In water Inert atmosphere;88%
With oxalic acid In water at 45 - 50℃; for 1h;
(2R)-3-chloro-1,2-propanediol
57090-45-6

(2R)-3-chloro-1,2-propanediol

phosphorylcholine chloride, calcium salt
4826-71-5

phosphorylcholine chloride, calcium salt

glycerolcholine phosphate
34688-34-1

glycerolcholine phosphate

Conditions
ConditionsYield
Stage #1: phosphorylcholine chloride, calcium salt With potassium oxalate In water at 20℃; for 2h;
Stage #2: (2R)-3-chloro-1,2-propanediol With potassium hydroxide In ethanol for 6h;
86%
phosphorylcholine chloride, calcium salt
4826-71-5

phosphorylcholine chloride, calcium salt

cytidine 5'-monophosphate morpholidate
76742-17-1

cytidine 5'-monophosphate morpholidate

citicoline
987-78-0

citicoline

Conditions
ConditionsYield
With sulfuric acid In methanol at 50℃; for 3h;85%
at 20 - 60℃; for 10h;
6-bromo-hexanoic acid ethyl ester
25542-62-5

6-bromo-hexanoic acid ethyl ester

phosphorylcholine chloride, calcium salt
4826-71-5

phosphorylcholine chloride, calcium salt

Ethyl 6-(O-phosphorylcholine)hydroxyhexanoate
134046-84-7

Ethyl 6-(O-phosphorylcholine)hydroxyhexanoate

Conditions
ConditionsYield
18-crown-6 ether In formamide at 110 - 120℃; for 3h;74%
Stage #1: phosphorylcholine chloride, calcium salt With oxalic acid neutralization;
Stage #2: With potassium hydroxide pH=9; neutralization;
Stage #3: 6-bromo-hexanoic acid ethyl ester With dibenzo-18-crown-6 In formamide at 110 - 120℃; for 3h; Substitution;
C12H15N5O7P(1-)

C12H15N5O7P(1-)

triethylamine carbonate
15715-58-9

triethylamine carbonate

phosphorylcholine chloride, calcium salt
4826-71-5

phosphorylcholine chloride, calcium salt

triethylammonium cytidine 5’-diphosphate choline

triethylammonium cytidine 5’-diphosphate choline

Conditions
ConditionsYield
Stage #1: C12H15N5O7P(1-); phosphorylcholine chloride, calcium salt In acetonitrile for 4h;
Stage #2: triethylamine carbonate pH=7.5;
34%
C13H13N4O9P

C13H13N4O9P

phosphorylcholine chloride, calcium salt
4826-71-5

phosphorylcholine chloride, calcium salt

cytidine 5'-diphosphocholine sodium salt
33818-15-4

cytidine 5'-diphosphocholine sodium salt

Conditions
ConditionsYield
In acetonitrile for 2h;30%
phosphorylcholine chloride, calcium salt
4826-71-5

phosphorylcholine chloride, calcium salt

methylphosphorylcholine
2375-06-6

methylphosphorylcholine

Conditions
ConditionsYield
(i) oxalic acid, H2O, (ii) /BRN= 102415/, Et2O, MeOH; Multistep reaction;
phosphorylcholine chloride, calcium salt
4826-71-5

phosphorylcholine chloride, calcium salt

choline phosphate
645-84-1

choline phosphate

Conditions
ConditionsYield
With IR-120 (H+-form) In water
tetra(n-butyl)ammonium hydroxide
2052-49-5

tetra(n-butyl)ammonium hydroxide

phosphorylcholine chloride, calcium salt
4826-71-5

phosphorylcholine chloride, calcium salt

Phosphorylcholine tetra-n-butylammonium salt

Phosphorylcholine tetra-n-butylammonium salt

Conditions
ConditionsYield
Stage #1: phosphorylcholine chloride, calcium salt With oxalic acid Substitution;
Stage #2: tetra(n-butyl)ammonium hydroxide In water pH=9; neutralization;
Stage #1: phosphorylcholine chloride, calcium salt With oxalic acid In water
Stage #2: tetra(n-butyl)ammonium hydroxide In water pH=9;
6-bromohexanoic acid
4224-70-8

6-bromohexanoic acid

phosphorylcholine chloride, calcium salt
4826-71-5

phosphorylcholine chloride, calcium salt

6-(O-phosphorylcholine)hydroxyhexanoic acid
73839-24-4

6-(O-phosphorylcholine)hydroxyhexanoic acid

Conditions
ConditionsYield
18-crown-6 ether In formamide at 110 - 120℃; for 3h; Product distribution / selectivity;
cytidine monophosphate
63-37-6

cytidine monophosphate

phosphorylcholine chloride, calcium salt
4826-71-5

phosphorylcholine chloride, calcium salt

cytidine 5'-diphosphocholine sodium salt
33818-15-4

cytidine 5'-diphosphocholine sodium salt

Conditions
ConditionsYield
Stage #1: phosphorylcholine chloride, calcium salt With oxalic acid In water at 45 - 50℃;
Stage #2: cytidine monophosphate With morpholine; hydrogenchloride; dicyclohexyl-carbodiimide In methanol; water at 50 - 55℃; pH=3.5;
Stage #3: With sodium hydroxide In water Reagent/catalyst; Temperature;
Stage #1: phosphorylcholine chloride, calcium salt In benzene at 120℃; for 0.5h;
Stage #2: With sodium carbonate In benzene for 2h;
Stage #3: cytidine monophosphate Temperature; Further stages;
phosphorylcholine chloride, calcium salt
4826-71-5

phosphorylcholine chloride, calcium salt

(R)-oxiranemethanol
57044-25-4

(R)-oxiranemethanol

L-glycero-3-phosphorylcholine
28319-77-9

L-glycero-3-phosphorylcholine

Conditions
ConditionsYield
Stage #1: phosphorylcholine chloride, calcium salt With sodium carbonate In water at 20℃; for 1h;
Stage #2: (R)-oxiranemethanol Reagent/catalyst; Concentration; Reflux;
289 g
phosphorylcholine chloride, calcium salt
4826-71-5

phosphorylcholine chloride, calcium salt

C5H13NO4P(1-)*Cl(1-)*2Na(1+)

C5H13NO4P(1-)*Cl(1-)*2Na(1+)

Conditions
ConditionsYield
With sodium carbonate In water
With sodium carbonate In water

4826-71-5Relevant articles and documents

Hydrogen bonding Part 38. IR and thermodynamic study of phosphorylcholine chloride calcium salt tetrahydrate and monohydrate

Harmon, Kenneth M.,Akin, Anne C.

, p. 173 - 179 (1991)

Vapor pressure vs.H2O content studies demonstrate that phosphorylcholine chloride calcium salt forms two hydrates, a monohydrate and a tetrahydrate, in the range 0-4 mol H2O mol-1 of salt; there is no dihydrate or trihydrate.Equilibrium vapor pressure measurements show that ΔH0 of dissociation per mol H2O lost is greater for the tetrahydrate (16.08 kcal mol-1) than for the monohydrate (12.49 kcal mol-1); the lower stability of the tetrahydrate arises from entropy effects.The IR spetrum of the tetrahydrate is that of a framework clathrate hydrate and suggests that the -PO3 group may act as a very weak hydrogen-bond acceptor.In the monohydrate the -PO3 group is not involved in hydrogen bonding.Neither hydrate contains P-OH bonds.

Glycerin phosphatidyl choline preparation method

-

Paragraph 0056-0061, (2017/12/28)

The invention discloses a preparation method for glycerophosphatidylcholine. The preparation method comprises the steps: mixing a compound shown in the formula (I) with anhydrous sodium carbonate to prepare a mixture M1; putting the mixture M1 and (R)-(-)-3-chloro-1,2-propylene glycol in anhydrous ethanol for reflux to obtain a mixture M2; after diluting the mixture M2 by 5-10 times, flowing the mixture M2 through first ion exchange resin to obtain a mixture M3; after diluting the mixture M3 by 2-4 times, flowing the mixture M3 through second ion exchange resin to obtain a mixture M4; washing the mixture M4 by 70-90wt% ethanol to obtain a mixture M5; washing the mixture M5 by distilled water to obtain a mixture M6; after flowing the mixture M6 through third ion exchange resin, filtering the mixture M6 to obtain a filtrate so as to obtain the glycerophosphatidylcholine. The formula (I) is as shown in the description, wherein R is Ca2 or Mg2. The effects of simple preparation method, high synthetic ratio and great reduction of production cost are achieved.

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