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4504-88-5

4504-88-5

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4504-88-5 Usage

Uses

11-[3-(Dimethylamino)propyl]-6,11-dihydrocibenz[b,e]oxepin-11-ol is an impurity in the synthesis of Doxepin (D550000), used clinically to treat anxiety and depression. Doxepin is an antidepressant.

Check Digit Verification of cas no

The CAS Registry Mumber 4504-88-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,5,0 and 4 respectively; the second part has 2 digits, 8 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 4504-88:
(6*4)+(5*5)+(4*0)+(3*4)+(2*8)+(1*8)=85
85 % 10 = 5
So 4504-88-5 is a valid CAS Registry Number.
InChI:InChI=1/C19H23NO2/c1-20(2)13-7-12-19(21)16-9-4-3-8-15(16)14-22-18-11-6-5-10-17(18)19/h3-6,8-11,21H,7,12-14H2,1-2H3

4504-88-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 11-[3-(dimethylamino)propyl]-6H-benzo[c][1]benzoxepin-11-ol

1.2 Other means of identification

Product number -
Other names EINECS 224-821-0

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:4504-88-5 SDS

4504-88-5Downstream Products

4504-88-5Relevant articles and documents

Synthetic method of doxepin hydrochloride

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Paragraph 0036; 0040-0043; 0049; 0051-0052; 0055; 0057-0058, (2020/12/30)

The invention discloses a synthetic method of doxepin hydrochloride. The synthetic method comprises the following steps: using N, N-dimethyl-3-chloropropylamine as an initial raw material, carrying out Grignard reaction, carrying out addition reaction on the reaction product and 6, 11-dihydrodibenzo [b, e] oxepine-11-ketone, and sequentially carrying out elimination reaction and salifying reactionto synthesize the final product. According to the method, high-purity doxepin hydrochloride can be obtained through four-step synthesis, a substitution reaction is not needed, and the yield of the prepared product is high. Compared with the existing synthesis process, the method has the advantages of few synthesis steps, simple process, short production period, low cost and the like.

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