131944-48-4

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Basic information

Product Name: (E/Z)-FK-506 26,28-Allylic Ester RearrangeMent IMpurity
Synonyms: (E/Z)-FK-506 26,28-Allylic Ester RearrangeMent IMpurity;[3R-[3R*(1R*,3R*,4R*),4E,6S*,7S*,10R*,11E,14S*,16S*,17R*,18S*,20R*,21R*,28aS*]]-;Tacrolimus Impurity 2;[3R-[3R*(1R*,3R*,4R*),4E,6S*,7S*,10R*,11E,14S*,16S*,17R*,18S*,20R*,21R*,28aS*]]-7,8,10,13,14,15,16,17,18,19,20,21,26,27,28,28a-Hexadecahydro-7,21-dihydroxy-3-(4-hydroxy-3-methoxycyclohexyl)-16,18-dimethoxy-4,6,12,14,20-pentamethyl-10-(2-propenyl)-7,21-epo
CAS NO:131944-48-4
Molecular Formula: C₄₄H₆₉NO₁₂
Molecular Weight: 804.01816
EINECS: N/A
Product Categories: Chiral Reagents;Impurities;Intermediates & Fine Chemicals;Pharmaceuticals;Chiral Reagents, Impurities, Pharmaceuticals, Intermediates & Fine Chemicals
Mol File: 131944-48-4.mol
Article Data: 1

Chemical Properties

Melting Point: 115-120°C
Boiling Point: 879.7±75.0 °C(Predicted)
Flash Point: N/A
Appearance: /
Density: 1.19±0.1 g/cm3(Predicted)
Refractive Index: N/A
Storage Temp.: -20?C Freezer
Solubility: N/A
PKA: 9.98±0.70(Predicted)
CAS DataBase Reference: (E/Z)-FK-506 26,28-Allylic Ester RearrangeMent IMpurity(CAS DataBase Reference)
NIST Chemistry Reference: (E/Z)-FK-506 26,28-Allylic Ester RearrangeMent IMpurity(131944-48-4)
EPA Substance Registry System: (E/Z)-FK-506 26,28-Allylic Ester RearrangeMent IMpurity(131944-48-4)

Safety Data

Hazard Codes: N/A
Statements: N/A
Safety Statements: N/A
WGK Germany:
RTECS:
HazardClass: N/A
PackingGroup: N/A
Hazardous Substances Data: 131944-48-4(Hazardous Substances Data)

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131944-48-4 Usage

Chemical Properties

White to Pale Yellow Solid

Uses

FK-506 (F370000) impurity. A new macrolite of thermal rearrangement of the immunosuppressant FK-506.

Check Digit Verification of cas no

The CAS Registry Mumber 131944-48-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,1,9,4 and 4 respectively; the second part has 2 digits, 4 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 131944-48:
(8*1)+(7*3)+(6*1)+(5*9)+(4*4)+(3*4)+(2*4)+(1*8)=124
124 % 10 = 4
So 131944-48-4 is a valid CAS Registry Number.

131944-48-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name	(E/Z)-FK-506 26,28-Allylic Ester Rearrangement Impurity

1.2 Other means of identification

Product number	-
Other names	-

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:131944-48-4 SDS

131944-48-4Upstream product

104987-11-3 (3S,4R,5S,8S,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-14,16-dimethoxy-15,19-epoxy-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3-[(1E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl]-8-(2-propen-1-yl)-4,10,12,18-tetramethyl-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone

131944-48-4Downstream Products

131944-49-5 (13E,16E,20E)-(1R,9S,12R,15R,19S,23S,25S,26R,27S,29R)-19-Allyl-1-hydroxy-12-((1R,3R,4R)-4-hydroxy-3-methoxy-cyclohexyl)-25,27-dimethoxy-13,15,21,23,29-pentamethyl-11,30-dioxa-4-aza-tricyclo[24.3.1.0^4,9]triaconta-13,16,20-triene-2,3,10,18-tetraone

131944-48-4Relevant articles and documents

THERMAL REARRANGEMENT OF THE IMMUNOSUPPRESSANT FK-506

Ok, H.,Arison, B. H.,Ball, R. G.,Beatti, T. R.,Fisher, M. H.,Wyvratt, M. J.

, p. 6477 - 6480 (2007/10/02)

Treatment of FK-506 in xylene at reflux results in a sigmatropic rearrangement of the allylic ester portion of the molecule to give a new ring expanded macrolide.

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