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L-Proline compd. with (1S)-1,5-anhydro-1-C-[3-(benzo[b]thien-2-ylmethyl)-4-fluorophenyl]-D-glucitol (1:1) is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

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  • 951382-34-6 Structure
  • Basic information

    1. Product Name: L-Proline compd. with (1S)-1,5-anhydro-1-C-[3-(benzo[b]thien-2-ylmethyl)-4-fluorophenyl]-D-glucitol (1:1)
    2. Synonyms: L-Proline compd. with (1S)-1,5-anhydro-1-C-[3-(benzo[b]thien-2-ylmethyl)-4-fluorophenyl]-D-glucitol (1:1);l-prolinecompd
    3. CAS NO:951382-34-6
    4. Molecular Formula: C5H9NO2*C21H21FO5S
    5. Molecular Weight: 519.5823032
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 951382-34-6.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: L-Proline compd. with (1S)-1,5-anhydro-1-C-[3-(benzo[b]thien-2-ylmethyl)-4-fluorophenyl]-D-glucitol (1:1)(CAS DataBase Reference)
    10. NIST Chemistry Reference: L-Proline compd. with (1S)-1,5-anhydro-1-C-[3-(benzo[b]thien-2-ylmethyl)-4-fluorophenyl]-D-glucitol (1:1)(951382-34-6)
    11. EPA Substance Registry System: L-Proline compd. with (1S)-1,5-anhydro-1-C-[3-(benzo[b]thien-2-ylmethyl)-4-fluorophenyl]-D-glucitol (1:1)(951382-34-6)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 951382-34-6(Hazardous Substances Data)

951382-34-6 Usage

Uses

Used in Pharmaceutical Industry:
Used in Biotechnology Industry:
In the biotechnology sector, L-Proline compd. with (1S)-1,5-anhydro-1-C-[3-(benzo[b]thien-2-ylmethyl)-4-fluorophenyl]-D-glucitol (1:1) can be utilized as a component in the development of novel bioactive materials and drug delivery systems. Its unique combination of properties may contribute to the creation of innovative solutions for targeted drug delivery, enhancing the efficacy and safety of therapeutic interventions.
Used in Cosmetics Industry:
L-Proline compd. with (1S)-1,5-anhydro-1-C-[3-(benzo[b]thien-2-ylmethyl)-4-fluorophenyl]-D-glucitol (1:1) may also find applications in the cosmetics industry, where its collagen-boosting properties from L-proline could be harnessed for anti-aging and skin health products. The potential antidiabetic and antineoplastic activities of the synthetic component may further contribute to the development of advanced skincare formulations with multifunctional benefits.

Check Digit Verification of cas no

The CAS Registry Mumber 951382-34-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 9,5,1,3,8 and 2 respectively; the second part has 2 digits, 3 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 951382-34:
(8*9)+(7*5)+(6*1)+(5*3)+(4*8)+(3*2)+(2*3)+(1*4)=176
176 % 10 = 6
So 951382-34-6 is a valid CAS Registry Number.

951382-34-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name (2S,3R,4R,5S,6R)-2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-(hydroxymethyl)oxane-3,4,5-triol,(2S)-pyrrolidine-2-carboxylic acid

1.2 Other means of identification

Product number -
Other names ASP-1941

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:951382-34-6 SDS

951382-34-6Synthetic route

(2S,3R,4R,5S,6R)-2-(3-(benzo[b]thiophen-2-ylmethyl)-4-fluorophenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
761423-87-4

(2S,3R,4R,5S,6R)-2-(3-(benzo[b]thiophen-2-ylmethyl)-4-fluorophenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

L-proline
147-85-3

L-proline

Ipragliflozin L-proline
951382-34-6

Ipragliflozin L-proline

Conditions
ConditionsYield
In dichloromethane at 35℃; for 3h;99%
In ethanol; water at 100℃; for 0.5h;83.7%
In ethanol at 100℃; for 0.5h;
2,3,4,6-tetra-O-pivaloyl-α-D-glucopyranosyl bromide
81058-27-7

2,3,4,6-tetra-O-pivaloyl-α-D-glucopyranosyl bromide

Ipragliflozin L-proline
951382-34-6

Ipragliflozin L-proline

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: n-butyllithium / toluene; dibutyl ether / 3 h / -20 °C
1.2: 1 h / 0 °C
1.3: 3 h / 100 °C
2.1: sodium methylate; methanol / 3 h / 65 °C
3.1: ethanol; water / 0.5 h / 100 °C
View Scheme
Multi-step reaction with 3 steps
1.1: n-butyllithium / toluene; hexane; dibutyl ether / 3.33 h / -20 °C / Inert atmosphere
1.2: 1.33 h / 0 °C / Inert atmosphere
1.3: 3 h / 100 °C / Inert atmosphere
2.1: sodium methylate; methanol / 3 h / 65 °C
3.1: ethanol; water / 0.5 h / 100 °C
View Scheme
(2R,3R,4S,5R,6R)-2-chloro-6-(pivaloyloxymethyl)tetrahydro-2H-pyran-3,4,5-triyl tris(2,2-dimethylpropanoate)

(2R,3R,4S,5R,6R)-2-chloro-6-(pivaloyloxymethyl)tetrahydro-2H-pyran-3,4,5-triyl tris(2,2-dimethylpropanoate)

Ipragliflozin L-proline
951382-34-6

Ipragliflozin L-proline

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: n-butyllithium / toluene; dibutyl ether / 3 h / -20 °C
1.2: 1 h / 0 °C
1.3: 3 h / 100 °C
2.1: sodium methylate; methanol / 3 h / 65 °C
3.1: ethanol; water / 0.5 h / 100 °C
View Scheme
2-[(5-iodo-2-fluorophenyl)methyl]-1-benzothiophene

2-[(5-iodo-2-fluorophenyl)methyl]-1-benzothiophene

Ipragliflozin L-proline
951382-34-6

Ipragliflozin L-proline

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: n-butyllithium / toluene; dibutyl ether / 3 h / -20 °C
1.2: 1 h / 0 °C
1.3: 3 h / 100 °C
2.1: sodium methylate; methanol / 3 h / 65 °C
3.1: ethanol; water / 0.5 h / 100 °C
View Scheme
Multi-step reaction with 3 steps
1.1: n-butyllithium / toluene; hexane; dibutyl ether / 3.33 h / -20 °C / Inert atmosphere
1.2: 1.33 h / 0 °C / Inert atmosphere
1.3: 3 h / 100 °C / Inert atmosphere
2.1: sodium methylate; methanol / 3 h / 65 °C
3.1: ethanol; water / 0.5 h / 100 °C
View Scheme
2-[(5-bromo-2-fluorophenyl)methyl]-1-benzothiophene
1034305-17-3

2-[(5-bromo-2-fluorophenyl)methyl]-1-benzothiophene

Ipragliflozin L-proline
951382-34-6

Ipragliflozin L-proline

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: n-butyllithium / toluene; dibutyl ether / 3 h / -20 °C
1.2: 1 h / 0 °C
1.3: 3 h / 100 °C
2.1: sodium methylate; methanol / 3 h / 65 °C
3.1: ethanol; water / 0.5 h / 100 °C
View Scheme
Multi-step reaction with 3 steps
1.1: n-butyllithium / dibutyl ether; toluene; n-heptane / 2 h / -40 °C / Inert atmosphere
1.2: 2 h / 20 - 90 °C
2.1: pentamethylbenzene,; boron trichloride / dichloromethane / 4 h / -78 °C
3.1: dichloromethane / 3 h / 35 °C
View Scheme
(1S)-1,5-anhydro-1-{3-[(1-benzothiophen-2-yl)methyl]-4-fluorophenyl}-2,3,4,6-tetra-O-pivaloyl-D-glucitol

(1S)-1,5-anhydro-1-{3-[(1-benzothiophen-2-yl)methyl]-4-fluorophenyl}-2,3,4,6-tetra-O-pivaloyl-D-glucitol

Ipragliflozin L-proline
951382-34-6

Ipragliflozin L-proline

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sodium methylate; methanol / 3 h / 65 °C
2: ethanol; water / 0.5 h / 100 °C
View Scheme
α-D-glucopyranose peracetylate
604-68-2

α-D-glucopyranose peracetylate

Ipragliflozin L-proline
951382-34-6

Ipragliflozin L-proline

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1.1: hydrogen bromide; acetic acid / dichloromethane / 0.67 h / 0 °C
2.1: Acidic conditions
3.1: iron(II) sulfate / methanol / 12 h
4.1: n-butyllithium / dibutyl ether; toluene; n-heptane / 2 h / -40 °C / Inert atmosphere
4.2: 2 h / 20 - 90 °C
5.1: pentamethylbenzene,; boron trichloride / dichloromethane / 4 h / -78 °C
6.1: dichloromethane / 3 h / 35 °C
View Scheme
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
572-09-8

2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide

Ipragliflozin L-proline
951382-34-6

Ipragliflozin L-proline

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1.1: Acidic conditions
2.1: iron(II) sulfate / methanol / 12 h
3.1: n-butyllithium / dibutyl ether; toluene; n-heptane / 2 h / -40 °C / Inert atmosphere
3.2: 2 h / 20 - 90 °C
4.1: pentamethylbenzene,; boron trichloride / dichloromethane / 4 h / -78 °C
5.1: dichloromethane / 3 h / 35 °C
View Scheme
Benzo[b]thiophene
95-15-8

Benzo[b]thiophene

Ipragliflozin L-proline
951382-34-6

Ipragliflozin L-proline

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1.1: n-butyllithium / tetrahydrofuran / 1.5 h / -78 °C
1.2: 2 h / -78 °C
2.1: triethylsilane; boron trifluoride diethyl etherate / dichloromethane / 0.5 h / -20 °C
3.1: n-butyllithium / dibutyl ether; toluene; n-heptane / 2 h / -40 °C / Inert atmosphere
3.2: 2 h / 20 - 90 °C
4.1: pentamethylbenzene,; boron trichloride / dichloromethane / 4 h / -78 °C
5.1: dichloromethane / 3 h / 35 °C
View Scheme
5-bromo-2-fluorobenzaldehyde
93777-26-5

5-bromo-2-fluorobenzaldehyde

Ipragliflozin L-proline
951382-34-6

Ipragliflozin L-proline

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1.1: n-butyllithium / tetrahydrofuran / 1.5 h / -78 °C
1.2: 2 h / -78 °C
2.1: triethylsilane; boron trifluoride diethyl etherate / dichloromethane / 0.5 h / -20 °C
3.1: n-butyllithium / dibutyl ether; toluene; n-heptane / 2 h / -40 °C / Inert atmosphere
3.2: 2 h / 20 - 90 °C
4.1: pentamethylbenzene,; boron trichloride / dichloromethane / 4 h / -78 °C
5.1: dichloromethane / 3 h / 35 °C
View Scheme
1-bromo-α-D-glucopyranose
61403-85-8

1-bromo-α-D-glucopyranose

Ipragliflozin L-proline
951382-34-6

Ipragliflozin L-proline

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: iron(II) sulfate / methanol / 12 h
2.1: n-butyllithium / dibutyl ether; toluene; n-heptane / 2 h / -40 °C / Inert atmosphere
2.2: 2 h / 20 - 90 °C
3.1: pentamethylbenzene,; boron trichloride / dichloromethane / 4 h / -78 °C
4.1: dichloromethane / 3 h / 35 °C
View Scheme
2,3,4,6-tetra-O-benzyl-α-D-glucopyranosyl bromide
4196-35-4

2,3,4,6-tetra-O-benzyl-α-D-glucopyranosyl bromide

Ipragliflozin L-proline
951382-34-6

Ipragliflozin L-proline

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: n-butyllithium / dibutyl ether; toluene; n-heptane / 2 h / -40 °C / Inert atmosphere
1.2: 2 h / 20 - 90 °C
2.1: pentamethylbenzene,; boron trichloride / dichloromethane / 4 h / -78 °C
3.1: dichloromethane / 3 h / 35 °C
View Scheme
(1-benzothiophen-2-yl)(5-bromo-2-fluorophenyl)methanol
1034305-11-7

(1-benzothiophen-2-yl)(5-bromo-2-fluorophenyl)methanol

Ipragliflozin L-proline
951382-34-6

Ipragliflozin L-proline

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: triethylsilane; boron trifluoride diethyl etherate / dichloromethane / 0.5 h / -20 °C
2.1: n-butyllithium / dibutyl ether; toluene; n-heptane / 2 h / -40 °C / Inert atmosphere
2.2: 2 h / 20 - 90 °C
3.1: pentamethylbenzene,; boron trichloride / dichloromethane / 4 h / -78 °C
4.1: dichloromethane / 3 h / 35 °C
View Scheme
alpha-D-glucopyranose
492-62-6

alpha-D-glucopyranose

Ipragliflozin L-proline
951382-34-6

Ipragliflozin L-proline

Conditions
ConditionsYield
Multi-step reaction with 7 steps
1.1: sodium acetate / 0.17 h / 140 °C
2.1: hydrogen bromide; acetic acid / dichloromethane / 0.67 h / 0 °C
3.1: Acidic conditions
4.1: iron(II) sulfate / methanol / 12 h
5.1: n-butyllithium / dibutyl ether; toluene; n-heptane / 2 h / -40 °C / Inert atmosphere
5.2: 2 h / 20 - 90 °C
6.1: pentamethylbenzene,; boron trichloride / dichloromethane / 4 h / -78 °C
7.1: dichloromethane / 3 h / 35 °C
View Scheme

951382-34-6Downstream Products

951382-34-6Relevant articles and documents

Method for synthesizing ipragliflozin

-

Paragraph 0041; 0070; 0085; 0054; 0055, (2018/07/30)

The invention discloses a method for synthesizing ipragliflozin. The method comprises the following steps: (1) generating alkylation reaction by formula-4 compound and formula-5 compound to generate aformula-6 compound; (2) carrying out deprotection on the formula-6 compound to generate a formula-7 compound, i.e., ipragliflozin. Compared with the prior art, the preparation method disclosed by theinvention is characterized in that adopted starting raw materials are cheap and can be easily obtained, a synthesis route is short, operation is convenient, cost is lower and general yield is high. The method conforms to the concept of green chemistry and is suitable for industrial production. (The formulas are shown in the description.).

A concise and practical stereoselective synthesis of ipragliflozin L-proline

Ma, Shuai,Liu, Zhenren,Pan, Jing,Zhang, Shunli,Zhou, Weicheng

, p. 1064 - 1070 (2017/06/20)

A concise and practical stereoselective synthesis of ipragliflozin L-proline was presented starting from 2-[(5-iodo-2-fluorophenyl)methyl]-1-benzothiophene and 2,3,4,6-tetra-O-pivaloyl-α-D-glucopyranosyl bromide without catalyst via iodine–lithium–zinc exchange. The overall yield was 52% in three steps and the product purity was excellent. Two key diastereomers were prepared with efficient and direct access to the α-C-arylglucoside.

COCRYSTAL OF C-GLYCOSIDE DERIVATIVE AND L-PROLINE

-

Page/Page column 7, (2009/01/24)

A cocrystal of (1S)-1,5-anhydro-1-[3-(1-benzothien-2-ylmethyl)-4-fluorophenyl]-D-glucitol and L-proline. It is a cocrystal of known compound A, which has a constant quality, is superior in storage stability, has no moisture absorptivity, and is suitable as a crystal of a drug substance used for preparing pharmaceuticals.

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