1985-12-2 Usage
Description
4-BROMOPHENYL ISOTHIOCYANATE is a white to light yellow crystalline powder that is primarily used in the synthesis of various organic compounds. It is a chemical intermediate with unique properties that make it valuable in the field of organic chemistry.
Uses
Used in Pharmaceutical Industry:
4-BROMOPHENYL ISOTHIOCYANATE is used as a chemical intermediate for the synthesis of 1-(4-bromophenyl)-3-ethyl-(1,2-dideoxy-D-glycero-α-D-galacto-heptofurano)[2,1-d]imidazolidine-2-thione, which is a compound with potential applications in the pharmaceutical industry. The synthesis of this compound demonstrates the utility of 4-BROMOPHENYL ISOTHIOCYANATE in creating complex molecular structures that can be further explored for their therapeutic properties.
Used in Organic Chemistry Research:
4-BROMOPHENYL ISOTHIOCYANATE is used as a reagent in organic chemistry research for the synthesis of various organic compounds. Its unique chemical properties allow it to be a versatile building block in the development of new molecules with potential applications in various fields, such as pharmaceuticals, agrochemicals, and materials science.
Purification Methods
Recrystallise the isothiocyanate from boiling n-hexane. Any insoluble material is most probably the corresponding urea. It is also purified by steam distillation, cool the receiver, add NaCl and extract in Et2O, wash the extract with N H2SO4, dry (MgSO4), evaporate and recrystallise the residual solid. [Cymerman-Craig et al. Org Synth Coll Vol IV 700 1963, cf Dains et al. Org Synth Coll Vol I 447 1941, Beilstein 6 IV 1051, 12 II 354, 12 III 1463p, 12 IV 1519.]
Check Digit Verification of cas no
The CAS Registry Mumber 1985-12-2 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,9,8 and 5 respectively; the second part has 2 digits, 1 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 1985-12:
(6*1)+(5*9)+(4*8)+(3*5)+(2*1)+(1*2)=102
102 % 10 = 2
So 1985-12-2 is a valid CAS Registry Number.
InChI:InChI=1/C7H4BrNS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H
1985-12-2Relevant articles and documents
Facile synthesis of 1-(4-bromophenyl)-1H-tetrazol-5-amine and related amide derivatives
Yang, Hao,Ouyang, Yifan,Sun, Yutong,Wang, Zhe,Zhu, Xuanli,Tan, Xiaoli,Wang, Hao,Hong, Wei
, p. 581 - 585 (2017)
An efficient one-pot synthesis of 1-(4-bromophenyl)-1H-tetrazol-5-amine was performed using 4-bromoaniline as the starting material. A novel and widely applicable amidation procedure was then employed, whereby 1-(4-bromophenyl)-1H-tetrazol-5-amine was acylated with different acyl chlorides in the presence of lithium bis(trimethylsilyl)amide as catalyst, for the high-yield synthesis of [1-(4-bromophenyl)-1H-tetrazol-5-yl]amide derivatives.
Tetrabutylammonium Iodide/I2 Mediated Convenient and Green Synthesis of Substituted Organic Isothiocyanates
Srivastava, Nitin
, p. 562 - 570 (2021/10/07)
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A catalyst-free method for the synthesis of 1,4,2-dithiazoles from isothiocyanates and hydroxylamine triflic acid salts
An, Zhenyu,Liu, Yafeng,Ren, Yi,Wang, Ting,Yan, Rulong
supporting information, p. 6206 - 6209 (2021/07/28)
A catalyst-free method for the preparation of 1,4,2-dithiazoles is developed by reactions of isothiocyanates with hydroxylamine triflic acid salts. This reaction achieves C-S, C-N, and S-N bond formation, and a range of products are obtained in moderate to good yields. The obvious feature is using shelf-stable hydroxylamine triflic acid salts as a N source to synthesize heterocycles under mild conditions.