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17397-85-2

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17397-85-2 Usage

Definition

ChEBI: An isochromane that is 3,4-dihydroisocoumarin bearing methyl and hydroxy substituents at positions 3 and 8 respectively.

Check Digit Verification of cas no

The CAS Registry Mumber 17397-85-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,7,3,9 and 7 respectively; the second part has 2 digits, 8 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 17397-85:
(7*1)+(6*7)+(5*3)+(4*9)+(3*7)+(2*8)+(1*5)=142
142 % 10 = 2
So 17397-85-2 is a valid CAS Registry Number.
InChI:InChI=1/C10H10O3/c1-6-5-7-3-2-4-8(11)9(7)10(12)13-6/h2-4,6,11H,5H2,1H3

17397-85-2SDS

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 mellein

1.2 Other means of identification

Product number -
Other names (3R)-hydroxybutyl (3R)-hydroxybutyrate

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:17397-85-2 SDS

17397-85-2Relevant articles and documents

Isocoumarin derivative as well as preparation method and medical application thereof

-

Paragraph 0249-0253; 0262-0265, (2020/03/17)

The invention belongs to the technical field of chemical medicines, and relates to an isocoumarin compound of general formula (I) and a preparation method and medical application, of the isocoumarin compound in preparation of medicines for treating and mo

Ruthenium-NHC-Diamine Catalyzed Enantioselective Hydrogenation of Isocoumarins

Li, Wei,Wiesenfeldt, Mario P.,Glorius, Frank

, p. 2585 - 2588 (2017/03/08)

A novel and practical chiral ruthenium-NHC-diamine system is disclosed for the enantioselective hydrogenation of isocoumarins, which provides a new concept to apply (chiral) NHC ligands in asymmetric catalysis. A variety of optically active 3-substituted 3,4-dihydroisocoumarins were obtained in excellent enantioselectivities (up to 99% ee). Moreover, this methodology was utilized in the synthesis of O-methylmellein, mellein, and ochratoxin A.

Synthesis of (R)-mellein by a partially reducing iterative polyketide synthase

Sun, Huihua,Ho, Chun Loong,Ding, Feiqing,Soehano, Ishin,Liu, Xue-Wei,Liang, Zhao-Xun

supporting information; experimental part, p. 11924 - 11927 (2012/09/08)

Mellein and the related 3,4-dihydroisocoumarins are a family of natural products with interesting biological properties. The mechanisms of dihydroisocoumarin biosynthesis remain largely speculative today. Here we report the synthesis of mellein by a partially reducing iterative polyketide synthase (PR-PKS) as a pentaketide product. Remarkably, despite the head-to-tail homology shared with several fungal and bacterial PR-PKSs, the mellein synthase exhibits a distinct keto reduction pattern in the synthesis of the pentaketide. We present evidence to show that the ketoreductase (KR) domain alone is able to recognize and differentiate the polyketide intermediates, which provides a mechanistic explanation for the programmed keto reduction in these PR-PKSs.

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